3-[2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[4-(benzyloxycarbonylamino)butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[4-(phenylmethoxycarbonylamino)butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[4-(benzyloxycarbonylamino)butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H31N3O6/c33-26(12-7-17-30-29(37)38-20-21-8-3-1-4-9-21)31-19-27(34)32-25(18-28(35)36)24-15-13-23(14-16-24)22-10-5-2-6-11-22/h1-6,8-11,13-16,25H,7,12,17-20H2,(H,30,37)(H,31,33)(H,32,34)(H,35,36)