2-[ethanoyl(phenylmethoxycarbonyl)amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[ethanoyl(phenylmethoxycarbonyl)amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[acetyl(benzyloxycarbonyl)amino]-4-sulfanyl-butanoic acid CAS Name: 2-[acetyl(phenylmethoxycarbonyl)amino]-4-mercaptobutanoic acid IUPAC Name: 2-[acetyl(phenylmethoxycarbonyl)amino]-4-sulfanylbutanoic acid Traditional Name: 2-[acetyl(carbobenzoxy)amino]-4-mercapto-butyric acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(CCS)C(=O)O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N(C(CCS)C(=O)O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H17NO5S/c1-10(16)15(12(7-8-21)13(17)18)14(19)20-9-11-5-3-2-4-6-11/h2-6,12,21H,7-9H2,1H3,(H,17,18)