1-[6-azanyl-2-[(3-benzamido-4-phenyl-2-sulfanyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[(3-benzamido-4-phenyl-2-sulfanyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[(3-benzamido-4-phenyl-2-sulfanyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[(3-benzamido-2-mercapto-4-phenylbutyl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[(3-benzamido-4-phenyl-2-sulfanylbutyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[(3-benzamido-2-mercapto-4-phenyl-butyl)amino]hexanoyl]proline Formula: C28H38N4O4S MolecularWeight: 526.69072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)S)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)S)C(=O)O

InChI

InChI=1S/C28H38N4O4S/c29-16-8-7-14-22(27(34)32-17-9-15-24(32)28(35)36)30-19-25(37)23(18-20-10-3-1-4-11-20)31-26(33)21-12-5-2-6-13-21/h1-6,10-13,22-25,30,37H,7-9,14-19,29H2,(H,31,33)(H,35,36)