methyl 3-(4-phenylphenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-phenylphenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-(4-phenylphenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-phenylphenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoate Traditional Name: 3-(4-phenylphenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propionic acid methyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CNC(=O)CCCNC3=CC=CC=N3

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CNC(=O)CCCNC3=CC=CC=N3

InChI

InChI=1S/C27H30N4O4/c1-35-27(34)18-23(22-14-12-21(13-15-22)20-8-3-2-4-9-20)31-26(33)19-30-25(32)11-7-17-29-24-10-5-6-16-28-24/h2-6,8-10,12-16,23H,7,11,17-19H2,1H3,(H,28,29)(H,30,32)(H,31,33)