3-[2-[phenethyl-(3-piperazin-1-ylphenyl)carbonyl-amino]ethanoylamino]-5-phenyl-pentanoic acid

Systemtic Name: 3-[2-[phenethyl-(3-piperazin-1-ylphenyl)carbonyl-amino]ethanoylamino]-5-phenyl-pentanoic acid Openeye Name: 3-[[2-[phenethyl-(3-piperazin-1-ylbenzoyl)amino]acetyl]amino]-5-phenyl-pentanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[3-(1-piperazinyl)phenyl]methyl]-phenethylamino]ethyl]amino]-5-phenylpentanoic acid IUPAC Name: 3-[[2-[phenethyl-(3-piperazin-1-ylbenzoyl)amino]acetyl]amino]-5-phenylpentanoic acid Traditional Name: 3-[[2-[phenethyl-(3-piperazinobenzoyl)amino]acetyl]amino]-5-phenyl-valeric acid Formula: C32H38N4O4 MolecularWeight: 542.66852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC(=C2)C(=O)N(CCC3=CC=CC=C3)CC(=O)NC(CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC(=C2)C(=O)N(CCC3=CC=CC=C3)CC(=O)NC(CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C32H38N4O4/c37-30(34-28(23-31(38)39)15-14-25-8-3-1-4-9-25)24-36(19-16-26-10-5-2-6-11-26)32(40)27-12-7-13-29(22-27)35-20-17-33-18-21-35/h1-13,22,28,33H,14-21,23-24H2,(H,34,37)(H,38,39)