3-benzoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
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3-benzoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
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CAS No:
14390-50-2
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Formula:
C18H17NO5S
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Chemical Name:
3-benzoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
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Synonyms:
MLS002703351;NSC96699;CHEMBL1872200;NSC-96699;AKOS024434774;SMR001570073;N-CARBOBENZYLOXY-S-BENZOYL-L-CYSTEINE;14390-50-2
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CAS No:
3-benzoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Basic Attributes
359.4 g/mol
359.08274382 g/mol
96699
Safety Information
|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:359.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:359.08274382
Monoisotopic Mass:359.08274382
Topological Polar Surface Area:118
Heavy Atom Count:25
Complexity:458
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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