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(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic Acid

UUID 8df2adc9-e594-4c36-8cee-b7224f9d501c
Flow Object IDfo-7f0cb00a2aed765e
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 361442-00-4
EC Numbers 700-361-0
prefLabel
Language Value Provenance
en (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic Acid
altLabel ⓘ
Language Value Provenance
en (2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid
en (2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid
en (α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid
en (α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid
en Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-
References
Shared Properties
Predicate Value
InChIKey GOXQVVSSDLNXOE-UHFFFAOYSA-N, OQRFEPBOIOWXRJ-UHFFFAOYSA-N, QQKXRLIEJAQMAO-HJRZXNCOSA-N, UKCKDSNFBFHSHC-BSVBHRQSSA-N, UKCKDSNFBFHSHC-JGCLWBMSSA-N, UKCKDSNFBFHSHC-KHNNNQPQSA-N, UKCKDSNFBFHSHC-UHFFFAOYSA-N, UKCKDSNFBFHSHC-ZEJPWUNMSA-N
InChI InChI=1S/C17H27NO5/c1-15(2,3)23-14(20)18-9-13(19)22-17-7-11-4-12(8-17)6-16(21,5-11)10-17/h11-12,21H,4-10H2,1-3H3,(H,18,20), InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18(9-13(19)20)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-12,22H,4-10H2,1-3H3,(H,19,20), InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20), InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+,12-,16?,17?/m0/s1, InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+,12-,16?,17?/m1/s1, InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m0/s1, InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1, InChI=1S/C18H29NO5/c1-16(2,3)24-15(22)19-13(5-14(20)21)17-6-11-4-12(7-17)9-18(23,8-11)10-17/h11-13,23H,4-10H2,1-3H3,(H,19,22)(H,20,21)/t11?,12?,13-,17?,18?/m1/s1
IUPAC name (2R)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (2R)-2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, (2R)-2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid, (2R)-2-(tert-butoxycarbonylamino)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoic acid, (2R)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (2R)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, (2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (2S)-2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, (2S)-2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid, (2S)-2-(tert-butoxycarbonylamino)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoic acid, (2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, (3-hydroxy-1-adamantyl) 2-(tert-butoxycarbonylamino)acetate, (3-hydroxy-1-adamantyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate, (3-oxidanyl-1-adamantyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate, (3R)-3-(3-hydroxy-1-adamantyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (3R)-3-(3-hydroxy-1-adamantyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (3R)-3-(tert-butoxycarbonylamino)-3-(3-hydroxy-1-adamantyl)propanoic acid, (3R)-3-(tert-butoxycarbonylamino)-3-(3-hydroxy-1-adamantyl)propionic acid, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanyl-1-adamantyl)propanoic acid, 2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, 2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, 2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid, 2-(tert-butoxycarbonylamino)acetic acid (3-hydroxy-1-adamantyl) ester, 2-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanyl-1-adamantyl)amino]ethanoic acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid, 2-[(3-hydroxy-1-adamantyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, 2-[(3-hydroxy-1-adamantyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid, 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid (3-hydroxy-1-adamantyl) ester, 2-[tert-butoxycarbonyl-(3-hydroxy-1-adamantyl)amino]acetic acid
Molecular formula C17H27NO5, C18H29NO5
SMILES CC(C)(C)OC(=O)N(CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)NC(CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)NCC(=O)OC12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@H](C(=O)O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@H](CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8df2adc9-e594-4c36-8cee-b7224f9d501c (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic acid Emissions/Emissions to air/Emissions to air, unspecified (long-term) kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)aceticacid||dimension=Environmental > media=Air > indoor=Unknown; cas=361442-00-4; added Common Chemistry CAS names as altLabel: (2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid, (2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid, (α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, (α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-; object_uuid=fo-7f0cb00a2aed765e
cas_match_labels 1 — consensus_match group_key=(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)aceticacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'361442-00-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f0cb00a2aed765e: {'361442-00-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)aceticacid||dimension=Environmental > media=Air > indoor=Unknown; cas=361442-00-4; added Common Chemistry CAS names as altLabel: (2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid, (2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid, (α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, (α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-; object_uuid=fo-7f0cb00a2aed765e
cas_match_labels None {'361442-00-4': 'exactMatch'} group_key=(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)aceticacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'361442-00-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f0cb00a2aed765e: {'361442-00-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "ec_numbers": [
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  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "8df2adc9-e594-4c36-8cee-b7224f9d501c",
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          "Emissions to air, unspecified (long-term)"
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  "prefLabel": [
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      "@value": "(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic Acid",
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  "_sources": {
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        "CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)NC(CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)NCC(=O)OC12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O",
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      "@value": [
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(20)18-9-13(19)22-17-7-11-4-12(8-17)6-16(21,5-11)10-17/h11-12,21H,4-10H2,1-3H3,(H,18,20)",
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18(9-13(19)20)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-12,22H,4-10H2,1-3H3,(H,19,20)",
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)",
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