3-[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]ethanoylamino]-3-(2-oxidanyl-3-phenyl-phenyl)propanoic acid

Systemtic Name: 3-[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]ethanoylamino]-3-(2-oxidanyl-3-phenyl-phenyl)propanoic acid Openeye Name: 3-(2-hydroxy-3-phenyl-phenyl)-3-[[2-[4-[(4-methyl-2-pyridyl)amino]butanoylamino]acetyl]amino]propanoic acid CAS Name: 3-(2-hydroxy-3-phenylphenyl)-3-[[2-[[4-[(4-methyl-2-pyridinyl)amino]-1-oxobutyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(2-hydroxy-3-phenylphenyl)-3-[[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(2-hydroxy-3-phenyl-phenyl)-3-[[2-[4-[(4-methyl-2-pyridyl)amino]butanoylamino]acetyl]amino]propionic acid Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=CC(=C2O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=CC(=C2O)C3=CC=CC=C3

InChI

InChI=1S/C27H30N4O5/c1-18-12-14-29-23(15-18)28-13-6-11-24(32)30-17-25(33)31-22(16-26(34)35)21-10-5-9-20(27(21)36)19-7-3-2-4-8-19/h2-5,7-10,12,14-15,22,36H,6,11,13,16-17H2,1H3,(H,28,29)(H,30,32)(H,31,33)(H,34,35)