methyl 3-[ethanoyl-[5-(pyridin-2-ylamino)pentanoylamino]amino]-3-(4-phenylphenyl)propanoate

Systemtic Name: methyl 3-[ethanoyl-[5-(pyridin-2-ylamino)pentanoylamino]amino]-3-(4-phenylphenyl)propanoate Openeye Name: methyl 3-[acetyl-[5-(2-pyridylamino)pentanoylamino]amino]-3-(4-phenylphenyl)propanoate CAS Name: 3-[acetyl-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]amino]-3-(4-phenylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[acetyl-[5-(pyridin-2-ylamino)pentanoylamino]amino]-3-(4-phenylphenyl)propanoate Traditional Name: 3-[acetyl-[5-(2-pyridylamino)pentanoylamino]amino]-3-(4-phenylphenyl)propionic acid methyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O4/c1-21(33)32(31-27(34)13-7-9-19-30-26-12-6-8-18-29-26)25(20-28(35)36-2)24-16-14-23(15-17-24)22-10-4-3-5-11-22/h3-6,8,10-12,14-18,25H,7,9,13,19-20H2,1-2H3,(H,29,30)(H,31,34)