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

Systemtic Name: ethyl (2S)-2-azanyl-4-methyl-4-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propylsulfonyl]pentanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-5-26-17(23)14(19)11-18(3,4)27(24,25)10-6-9-22-13(2)21-15-12-20-8-7-16(15)22/h7-8,12,14H,5-6,9-11,19H2,1-4H3/t14-/m0/s1