(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid
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![(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/497854758e3147239f1d21af6c71ad26.png "(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid")
(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid
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CAS No:
69901-75-3
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Formula:
C16H21NO4
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Chemical Name:
(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid
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Synonyms:
Cyclohexaneacetic acid,α-[[(phenylmethoxy)carbonyl]amino]-,(αS)-;Cyclohexaneacetic acid,α-[[(phenylmethoxy)carbonyl]amino]-,(S)-;(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid;(2S)-2-Cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid;(S)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylaceticacid
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CAS No:
(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid Basic Attributes
291.34
291.34
615-025-8
DTXSID80585042
2924299090
Characteristics
75.6
3.4
White Solid
1.1±0.1 g/cm3
111-114°C
492.1°C at 760 mmHg
130.9±22.6 °C
1.510
Refrigerator
Safety Information
P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, P501
H317
|Warning|H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]|P260, P314, and P501|Aggregated GHS information provided by 12 companies from 1 notifications to the ECHA C&L Inventory.|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid Use and Manufacturing
A gylicine derivative used in the preparation of peptides as inhibitors of serine proteases, particularly hepatitis C virus NS3-NS4A protease.
Computed Properties
Molecular Weight:291.34
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:291.14705815
Monoisotopic Mass:291.14705815
Topological Polar Surface Area:75.6
Heavy Atom Count:21
Complexity:346
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of (αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid
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CN
2 YRS
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(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid
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