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

Systemtic Name: 3-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[3-(benzyloxycarbonylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[3-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[3-(benzyloxycarbonylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C28H29N3O6 MolecularWeight: 503.54636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H29N3O6/c32-25(15-16-29-28(36)37-19-20-7-3-1-4-8-20)30-18-26(33)31-24(17-27(34)35)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,29,36)(H,30,32)(H,31,33)(H,34,35)