2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-amino-4-sulfanyl-butanoyl)-benzyloxycarbonyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-amino-4-mercapto-1-oxobutyl)-phenylmethoxycarbonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-amino-4-sulfanylbutanoyl)-phenylmethoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(2-amino-4-mercapto-butanoyl)-carbobenzoxy-amino]-3-phenyl-propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)C(CCS)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)C(CCS)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c22-17(11-12-29)19(24)23(21(27)28-14-16-9-5-2-6-10-16)18(20(25)26)13-15-7-3-1-4-8-15/h1-10,17-18,29H,11-14,22H2,(H,25,26)