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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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