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2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoic Acid

UUID 43bdeffa-e3a6-4967-b2f7-0f590d6897f5
Flow Object IDfo-d5c240579e46631e
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 162537-11-3
EC Numbers 431-620-3
prefLabel
Language Value Provenance
en 2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoic Acid
altLabel ⓘ
Language Value Provenance
en (2S)-2-[(Methoxycarbonyl)amino]-3,3-dimethylbutanoic acid
en (<em>S</em>)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid
en <em>N</em>-(Methoxycarbonyl)-3-methyl-<span class="text-smallcaps">L</span>-valine
en <em>N</em>-(Methoxycarbonyl)-<span class="text-smallcaps">L</span>-<em>tert</em>-leucine
en <span class="text-smallcaps">L</span>-Valine, <em>N</em>-(methoxycarbonyl)-3-methyl-
References
Shared Properties
Predicate Value
InChIKey AXRYRYVKAWYZBR-GASGPIRDSA-N, NWPRXAIYBULIEI-RXMQYKEDSA-N, NWPRXAIYBULIEI-UHFFFAOYSA-N, NWPRXAIYBULIEI-YFKPBYRVSA-N, WPPXAQGLXQAVTE-UHFFFAOYSA-N, WPPXAQGLXQAVTE-ZCFIWIBFSA-N
InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1, InChI=1S/C8H15NO3/c1-5(10)9-6(7(11)12)8(2,3)4/h6H,1-4H3,(H,9,10)(H,11,12), InChI=1S/C8H15NO3/c1-5(10)9-6(7(11)12)8(2,3)4/h6H,1-4H3,(H,9,10)(H,11,12)/t6-/m1/s1, InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11), InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1, InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
IUPAC name (2R)-2-(carbomethoxyamino)-3,3-dimethyl-butyric acid, (2R)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoic acid, (2R)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid, (2S)-2-(carbomethoxyamino)-3,3-dimethyl-butyric acid, (2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoic acid, (2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid, (2S)-2-acetamido-3,3-dimethyl-butanoic acid, (2S)-2-acetamido-3,3-dimethyl-butyric acid, (2S)-2-acetamido-3,3-dimethylbutanoic acid, 2-(carbomethoxyamino)-3,3-dimethyl-butyric acid, 2-(methoxycarbonylamino)-3,3-dimethyl-butanoic acid, 2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid, 2-acetamido-3,3-dimethyl-butanoic acid, 2-acetamido-3,3-dimethyl-butyric acid, 2-acetamido-3,3-dimethylbutanoic acid, N-[(1S)-1-[[(1S,2S)-1-benzyl-3-[[[(2S)-2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]amino]-[4-(2-pyridyl)benzyl]amino]-2-hydroxy-propyl]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester, N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester, methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[[4-(2-pyridyl)phenyl]methyl]amino]propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate, methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate, methyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Molecular formula C38H52N6O7, C8H15NO3, C8H15NO4
SMILES CC(=O)NC(C(=O)O)C(C)(C)C, CC(=O)N[C@H](C(=O)O)C(C)(C)C, CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC, CC(C)(C)C(C(=O)O)NC(=O)OC, CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC, CC(C)(C)[C@@H](C(=O)O)NC(=O)OC, CC(C)(C)[C@H](C(=O)O)NC(=O)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 43bdeffa-e3a6-4967-b2f7-0f590d6897f5 2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoic acid Emissions/Emissions to air/Emissions to air, indoor 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=2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoicacid||dimension=Environmental > media=Water > water_body=Surface water; cas=162537-11-3; added Common Chemistry CAS names as altLabel: (2S)-2-[(Methoxycarbonyl)amino]-3,3-dimethylbutanoic acid, (<em>S</em>)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid, <em>N</em>-(Methoxycarbonyl)-3-methyl-<span class="text-smallcaps">L</span>-valine, <em>N</em>-(Methoxycarbonyl)-<span class="text-smallcaps">L</span>-<em>tert</em>-leucine, <span class="text-smallcaps">L</span>-Valine, <em>N</em>-(methoxycarbonyl)-3-methyl-; object_uuid=fo-d5c240579e46631e
cas_match_labels 1 — consensus_match group_key=2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoicacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'162537-11-3': []}; assigned CAS labels from group consensus; object_uuid=fo-d5c240579e46631e: {'162537-11-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(2S)-2-[(Methoxycarbonyl)amino]-3,3-dimethylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:162537-11-3', 'https://commonchemistry.cas.org/detail?cas_rn=162537-11-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>S</em>)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:162537-11-3', 'https://commonchemistry.cas.org/detail?cas_rn=162537-11-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(Methoxycarbonyl)-3-methyl-<span class="text-smallcaps">L</span>-valine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:162537-11-3', 'https://commonchemistry.cas.org/detail?cas_rn=162537-11-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(Methoxycarbonyl)-<span class="text-smallcaps">L</span>-<em>tert</em>-leucine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:162537-11-3', 'https://commonchemistry.cas.org/detail?cas_rn=162537-11-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">L</span>-Valine, <em>N</em>-(methoxycarbonyl)-3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:162537-11-3', 'https://commonchemistry.cas.org/detail?cas_rn=162537-11-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoicacid||dimension=Environmental > media=Water > water_body=Surface water; cas=162537-11-3; added Common Chemistry CAS names as altLabel: (2S)-2-[(Methoxycarbonyl)amino]-3,3-dimethylbutanoic acid, (<em>S</em>)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid, <em>N</em>-(Methoxycarbonyl)-3-methyl-<span class="text-smallcaps">L</span>-valine, <em>N</em>-(Methoxycarbonyl)-<span class="text-smallcaps">L</span>-<em>tert</em>-leucine, <span class="text-smallcaps">L</span>-Valine, <em>N</em>-(methoxycarbonyl)-3-methyl-; object_uuid=fo-d5c240579e46631e
cas_match_labels None {'162537-11-3': 'exactMatch'} group_key=2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoicacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'162537-11-3': []}; assigned CAS labels from group consensus; object_uuid=fo-d5c240579e46631e: {'162537-11-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(2R)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoic acid",
        "(2R)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid",
        "(2S)-2-(carbomethoxyamino)-3,3-dimethyl-butyric acid",
        "(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoic acid",
        "(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid",
        "(2S)-2-acetamido-3,3-dimethyl-butanoic acid",
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        "(2S)-2-acetamido-3,3-dimethylbutanoic acid",
        "2-(carbomethoxyamino)-3,3-dimethyl-butyric acid",
        "2-(methoxycarbonylamino)-3,3-dimethyl-butanoic acid",
        "2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid",
        "2-acetamido-3,3-dimethyl-butanoic acid",
        "2-acetamido-3,3-dimethyl-butyric acid",
        "2-acetamido-3,3-dimethylbutanoic acid",
        "N-[(1S)-1-[[(1S,2S)-1-benzyl-3-[[[(2S)-2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]amino]-[4-(2-pyridyl)benzyl]amino]-2-hydroxy-propyl]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester",
        "N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester",
        "methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[[4-(2-pyridyl)phenyl]methyl]amino]propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate",
        "methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate",
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