1-[2-[(3-benzamido-4-phenyl-2-sulfanyl-butyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-benzamido-4-phenyl-2-sulfanyl-butyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-benzamido-4-phenyl-2-sulfanyl-butyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-benzamido-2-mercapto-4-phenylbutyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-benzamido-4-phenyl-2-sulfanylbutyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-benzamido-2-mercapto-4-phenyl-butyl)amino]propanoyl]proline Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)S

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)S

InChI

InChI=1S/C25H31N3O4S/c1-17(24(30)28-14-8-13-21(28)25(31)32)26-16-22(33)20(15-18-9-4-2-5-10-18)27-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-22,26,33H,8,13-16H2,1H3,(H,27,29)(H,31,32)