methyl (2S)-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]-3-phenylmethoxy-propanoate

Systemtic Name: methyl (2S)-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]-3-phenylmethoxy-propanoate Openeye Name: methyl (2S)-3-benzyloxy-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]propanoate CAS Name: (2S)-2-[[6-(2-methyl-1-imidazo[4,5-c]pyridinyl)-1-oxohexyl]amino]-3-phenylmethoxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]propionic acid methyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCCCCC(=O)NC(COCC3=CC=CC=C3)C(=O)OC)C=CN=C2

Isomeric SMILES

CC1=NC2=C(N1CCCCCC(=O)N[C@@H](COCC3=CC=CC=C3)C(=O)OC)C=CN=C2

InChI

InChI=1S/C24H30N4O4/c1-18-26-20-15-25-13-12-22(20)28(18)14-8-4-7-11-23(29)27-21(24(30)31-2)17-32-16-19-9-5-3-6-10-19/h3,5-6,9-10,12-13,15,21H,4,7-8,11,14,16-17H2,1-2H3,(H,27,29)/t21-/m0/s1