(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid

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(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid

UUID 304d4a91-bc91-456b-886a-b953e1a04eba

Flow Object ID fo-7248b5cd61c61b9b

Source EF 3.1

Context Environmental → Air → High stack, >150 meters

CAS Numbers 69901-75-3

EC Numbers 478-210-0

prefLabel

Language	Value	Provenance
`en`	`(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`(2S)-2-Cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid`
`en`	`(<em>S</em>)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylaceticacid`
`en`	`(α<em>S</em>)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid`
`en`	`Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (<em>S</em>)-`
`en`	`Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (α<em>S</em>)-`

References

Shared Properties

Predicate	Value
InChIKey	`CUSYTUPJAYLNFQ-AWEZNQCLSA-N, CUSYTUPJAYLNFQ-CQSZACIVSA-N, CUSYTUPJAYLNFQ-UHFFFAOYSA-N, FPCXOJYRIDBKKW-UHFFFAOYSA-N, WGHGYDKEIHJBHZ-UHFFFAOYSA-N`
InChI	InChI=1S/C16H21NO4/c18-14(19)11-17-16(9-5-2-6-10-16)15(20)21-12-13-7-3-1-4-8-13/h1,3-4,7-8,17H,2,5-6,9-12H2,(H,18,19), InChI=1S/C16H21NO4/c18-15(19)11-17(14-9-5-2-6-10-14)16(20)21-12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,19), InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19), InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m0/s1, InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m1/s1
IUPAC name	(2R)-2-(benzyloxycarbonylamino)-2-cyclohexyl-acetic acid, (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid, (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanoic acid, (2S)-2-(benzyloxycarbonylamino)-2-cyclohexyl-acetic acid, (2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid, (2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanoic acid, 2-(benzyloxycarbonylamino)-2-cyclohexyl-acetic acid, 2-[(1-benzyloxycarbonylcyclohexyl)amino]acetic acid, 2-[(1-carbobenzoxycyclohexyl)amino]acetic acid, 2-[(1-phenylmethoxycarbonylcyclohexyl)amino]acetic acid, 2-[(1-phenylmethoxycarbonylcyclohexyl)amino]ethanoic acid, 2-[benzyloxycarbonyl(cyclohexyl)amino]acetic acid, 2-[carbobenzoxy(cyclohexyl)amino]acetic acid, 2-[cyclohexyl(phenylmethoxycarbonyl)amino]acetic acid, 2-[cyclohexyl(phenylmethoxycarbonyl)amino]ethanoic acid, 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid, 2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanoic acid
Molecular formula	`C16H21NO4`
SMILES	`C1CCC(CC1)(C(=O)OCC2=CC=CC=C2)NCC(=O)O, C1CCC(CC1)C(C(=O)O)NC(=O)OCC2=CC=CC=C2, C1CCC(CC1)N(CC(=O)O)C(=O)OCC2=CC=CC=C2, C1CCC(CC1)[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2, C1CCC(CC1)[C@H](C(=O)O)NC(=O)OCC2=CC=CC=C2`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`304d4a91-bc91-456b-886a-b953e1a04eba`	(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid	Emissions/Emissions to air/Emissions to non-urban air or from high stacks	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)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)aceticacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=69901-75-3; added Common Chemistry CAS names as altLabel: (2S)-2-Cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid, (<em>S</em>)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylaceticacid, (α<em>S</em>)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid, Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (<em>S</em>)-, Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (α<em>S</em>)-; object_uuid=fo-7248b5cd61c61b9b
`cas_match_labels`	1	`—`	consensus_match	group_key=(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)aceticacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'69901-75-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7248b5cd61c61b9b: {'69901-75-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	High stack, >150 meters

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(2S)-2-Cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69901-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=69901-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>S</em>)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylaceticacid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69901-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=69901-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(α<em>S</em>)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69901-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=69901-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69901-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=69901-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (α<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69901-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=69901-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)aceticacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=69901-75-3; added Common Chemistry CAS names as altLabel: (2S)-2-Cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid, (<em>S</em>)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylaceticacid, (α<em>S</em>)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid, Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (<em>S</em>)-, Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (α<em>S</em>)-; object_uuid=fo-7248b5cd61c61b9b
`cas_match_labels`	`None`	`{'69901-75-3': 'exactMatch'}`	group_key=(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)aceticacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'69901-75-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7248b5cd61c61b9b: {'69901-75-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.778e-7
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