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

Systemtic Name: 2-[methyl(phenylmethoxycarbonyl)amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[benzyloxycarbonyl(methyl)amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid IUPAC Name: 2-[methyl(phenylmethoxycarbonyl)amino]-4-sulfanylbutanoic acid Traditional Name: 2-[carbobenzoxy(methyl)amino]-4-mercapto-butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-14(11(7-8-19)12(15)16)13(17)18-9-10-5-3-2-4-6-10/h2-6,11,19H,7-9H2,1H3,(H,15,16)