methyl 3-[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]ethanoylamino]-3-(3-oxidanyl-4-phenyl-phenyl)propanoate

Systemtic Name: methyl 3-[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]ethanoylamino]-3-(3-oxidanyl-4-phenyl-phenyl)propanoate Openeye Name: methyl 3-(3-hydroxy-4-phenyl-phenyl)-3-[[2-[4-[(4-methyl-2-pyridyl)amino]butanoylamino]acetyl]amino]propanoate CAS Name: 3-(3-hydroxy-4-phenylphenyl)-3-[[2-[[4-[(4-methyl-2-pyridinyl)amino]-1-oxobutyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3-hydroxy-4-phenylphenyl)-3-[[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]acetyl]amino]propanoate Traditional Name: 3-(3-hydroxy-4-phenyl-phenyl)-3-[[2-[4-[(4-methyl-2-pyridyl)amino]butanoylamino]acetyl]amino]propionic acid methyl ester Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCC(=O)NCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=NC=C1)NCCCC(=O)NCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C28H32N4O5/c1-19-12-14-30-25(15-19)29-13-6-9-26(34)31-18-27(35)32-23(17-28(36)37-2)21-10-11-22(24(33)16-21)20-7-4-3-5-8-20/h3-5,7-8,10-12,14-16,23,33H,6,9,13,17-18H2,1-2H3,(H,29,30)(H,31,34)(H,32,35)