3-[2-[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]ethanoylamino]-3-(4-naphthalen-2-ylphenyl)propanoic acid

Systemtic Name: 3-[2-[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]ethanoylamino]-3-(4-naphthalen-2-ylphenyl)propanoic acid Openeye Name: 3-[[2-[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]acetyl]amino]-3-[4-(2-naphthyl)phenyl]propanoic acid CAS Name: 3-[[2-[[5-[(4-methyl-2-pyridinyl)amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-[4-(2-naphthalenyl)phenyl]propanoic acid IUPAC Name: 3-[[2-[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]acetyl]amino]-3-(4-naphthalen-2-ylphenyl)propanoic acid Traditional Name: 3-[[2-[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]acetyl]amino]-3-[4-(2-naphthyl)phenyl]propionic acid Formula: C32H34N4O4 MolecularWeight: 538.63676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=NC=C1)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C32H34N4O4/c1-22-15-17-34-29(18-22)33-16-5-4-8-30(37)35-21-31(38)36-28(20-32(39)40)25-12-9-24(10-13-25)27-14-11-23-6-2-3-7-26(23)19-27/h2-3,6-7,9-15,17-19,28H,4-5,8,16,20-21H2,1H3,(H,33,34)(H,35,37)(H,36,38)(H,39,40)