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

Systemtic Name: 1-[2-[[3-benzamido-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-benzamido-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-benzamido-2-[(4-methoxyphenyl)methylthio]-4-phenylbutyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[3-benzamido-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-benzamido-2-(p-anisylthio)-4-phenyl-butyl]amino]propanoyl]proline Formula: C33H39N3O5S MolecularWeight: 589.74486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C33H39N3O5S/c1-23(32(38)36-19-9-14-29(36)33(39)40)34-21-30(42-22-25-15-17-27(41-2)18-16-25)28(20-24-10-5-3-6-11-24)35-31(37)26-12-7-4-8-13-26/h3-8,10-13,15-18,23,28-30,34H,9,14,19-22H2,1-2H3,(H,35,37)(H,39,40)