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

Systemtic Name: ethyl (2S)-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[6-(2-methyl-1-imidazo[4,5-c]pyridinyl)-1-oxohexyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]-3-phenyl-propionic acid ethyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCN2C(=NC3=C2C=CN=C3)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCCN2C(=NC3=C2C=CN=C3)C

InChI

InChI=1S/C24H30N4O3/c1-3-31-24(30)20(16-19-10-6-4-7-11-19)27-23(29)12-8-5-9-15-28-18(2)26-21-17-25-14-13-22(21)28/h4,6-7,10-11,13-14,17,20H,3,5,8-9,12,15-16H2,1-2H3,(H,27,29)/t20-/m0/s1