1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]-3-mercapto-propanoyl]proline Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CS)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CS)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H24N2O5S/c21-16(20-10-4-7-15(20)18(24)25)14(11-26)19-13(17(22)23)9-8-12-5-2-1-3-6-12/h1-3,5-6,13-15,19,26H,4,7-11H2,(H,22,23)(H,24,25)