4-[6-[(4-chlorophenyl)carbonyl-(1-phenylethyl)amino]hexanoyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[6-[(4-chlorophenyl)carbonyl-(1-phenylethyl)amino]hexanoyl-(phenylmethyl)amino]butanoic acid Openeye Name: 4-[benzyl-[6-[(4-chlorobenzoyl)-(1-phenylethyl)amino]hexanoyl]amino]butanoic acid CAS Name: 4-[[6-[[(4-chlorophenyl)-oxomethyl]-(1-phenylethyl)amino]-1-oxohexyl]-(phenylmethyl)amino]butanoic acid IUPAC Name: 4-[benzyl-[6-[(4-chlorobenzoyl)-(1-phenylethyl)amino]hexanoyl]amino]butanoic acid Traditional Name: 4-[benzyl-[6-[(4-chlorobenzoyl)-(1-phenylethyl)amino]hexanoyl]amino]butyric acid Formula: C32H37ClN2O4 MolecularWeight: 549.10018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CCCCCC(=O)N(CCCC(=O)O)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N(CCCCCC(=O)N(CCCC(=O)O)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C32H37ClN2O4/c1-25(27-14-7-3-8-15-27)35(32(39)28-18-20-29(33)21-19-28)23-10-4-9-16-30(36)34(22-11-17-31(37)38)24-26-12-5-2-6-13-26/h2-3,5-8,12-15,18-21,25H,4,9-11,16-17,22-24H2,1H3,(H,37,38)