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

Systemtic Name: 1-[3-(3-azanylpropylsulfanyl)-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(3-aminopropylsulfanyl)-2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(3-aminopropylthio)-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(3-aminopropylsulfanyl)-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(3-aminopropylthio)-2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]proline Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c22-11-5-13-30-14-17(19(25)24-12-4-8-18(24)21(28)29)23-16(20(26)27)10-9-15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14,22H2,(H,26,27)(H,28,29)