2-acetamido-2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-acetamido-2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-acetamido-2-[4-[(4-methyl-2-pyridyl)amino]butanoylamino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-acetamido-2-[[4-[(4-methyl-2-pyridinyl)amino]-1-oxobutyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-acetamido-2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-acetamido-2-[4-[(4-methyl-2-pyridyl)amino]butanoylamino]-3-(4-phenylphenyl)propionic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCC(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=NC=C1)NCCCC(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)(C(=O)O)NC(=O)C

InChI

InChI=1S/C27H30N4O4/c1-19-14-16-29-24(17-19)28-15-6-9-25(33)31-27(26(34)35,30-20(2)32)18-21-10-12-23(13-11-21)22-7-4-3-5-8-22/h3-5,7-8,10-14,16-17H,6,9,15,18H2,1-2H3,(H,28,29)(H,30,32)(H,31,33)(H,34,35)