2-(3-cyclohexylpropanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide

Systemtic Name: 2-(3-cyclohexylpropanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide Openeye Name: 2-(3-cyclohexylpropanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]pentanamide CAS Name: 2-[(3-cyclohexyl-1-oxopropyl)amino]-4-methyl-N-[7-methyl-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]pentanamide IUPAC Name: 2-(3-cyclohexylpropanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]pentanamide Traditional Name: 2-(3-cyclohexylpropanoylamino)-N-[3-keto-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-4-methyl-valeramide Formula: C27H42N4O6S MolecularWeight: 550.71058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)CCC3CCCCC3

Isomeric SMILES

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)CCC3CCCCC3

InChI

InChI=1S/C27H42N4O6S/c1-19(2)17-23(28-25(33)15-13-21-9-5-4-6-10-21)27(34)29-22-14-12-20(3)31(18-24(22)32)38(36,37)26-11-7-8-16-30(26)35/h7-8,11,16,19-23H,4-6,9-10,12-15,17-18H2,1-3H3,(H,28,33)(H,29,34)