1-[4-azanylbutyl-(3-benzamido-2-oxidanyl-4-phenyl-butyl)carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-azanylbutyl-(3-benzamido-2-oxidanyl-4-phenyl-butyl)carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-aminobutyl-(3-benzamido-2-hydroxy-4-phenyl-butyl)carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-aminobutyl-(3-benzamido-2-hydroxy-4-phenylbutyl)amino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-aminobutyl-(3-benzamido-2-hydroxy-4-phenylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-aminobutyl-(3-benzamido-2-hydroxy-4-phenyl-butyl)carbamoyl]proline Formula: C27H36N4O5 MolecularWeight: 496.59854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O5/c28-15-7-8-16-30(27(36)31-17-9-14-23(31)26(34)35)19-24(32)22(18-20-10-3-1-4-11-20)29-25(33)21-12-5-2-6-13-21/h1-6,10-13,22-24,32H,7-9,14-19,28H2,(H,29,33)(H,34,35)