3-(4-phenylphenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-phenylphenyl)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-phenylphenyl)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propionic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCCCNC3=CC=CC=N3

InChI

InChI=1S/C27H30N4O4/c32-25(11-5-7-17-29-24-10-4-6-16-28-24)30-19-26(33)31-23(18-27(34)35)22-14-12-21(13-15-22)20-8-2-1-3-9-20/h1-4,6,8-10,12-16,23H,5,7,11,17-19H2,(H,28,29)(H,30,32)(H,31,33)(H,34,35)