hexadecyl (2S)-2-azanyl-4-methyl-4-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propylsulfonyl]pentanoate

Systemtic Name: hexadecyl (2S)-2-azanyl-4-methyl-4-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propylsulfonyl]pentanoate Openeye Name: hexadecyl (2S)-2-amino-4-methyl-4-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propylsulfonyl]pentanoate CAS Name: (2S)-2-amino-4-methyl-4-[3-(2-methyl-1-imidazo[4,5-c]pyridinyl)propylsulfonyl]pentanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-amino-4-methyl-4-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propylsulfonyl]pentanoate Traditional Name: (2S)-2-amino-4-methyl-4-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propylsulfonyl]valeric acid cetyl ester Formula: C32H56N4O4S MolecularWeight: 592.87644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(C)(C)S(=O)(=O)CCCN1C(=NC2=C1C=CN=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](CC(C)(C)S(=O)(=O)CCCN1C(=NC2=C1C=CN=C2)C)N

InChI

InChI=1S/C32H56N4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-40-31(37)28(33)25-32(3,4)41(38,39)24-19-22-36-27(2)35-29-26-34-21-20-30(29)36/h20-21,26,28H,5-19,22-25,33H2,1-4H3/t28-/m0/s1