hexadecyl (2S)-4-methyl-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]pentanoate

Systemtic Name: hexadecyl (2S)-4-methyl-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]pentanoate Openeye Name: hexadecyl (2S)-4-methyl-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[6-(2-methyl-1-imidazo[4,5-c]pyridinyl)-1-oxohexyl]amino]pentanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-4-methyl-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoylamino]valeric acid cetyl ester Formula: C35H60N4O3 MolecularWeight: 584.8759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)CCCCCN1C(=NC2=C1C=CN=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](CC(C)C)NC(=O)CCCCCN1C(=NC2=C1C=CN=C2)C

InChI

InChI=1S/C35H60N4O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-42-35(41)31(27-29(2)3)38-34(40)22-19-18-20-25-39-30(4)37-32-28-36-24-23-33(32)39/h23-24,28-29,31H,5-22,25-27H2,1-4H3,(H,38,40)/t31-/m0/s1