2-(5-cyclohexylpentanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide

Systemtic Name: 2-(5-cyclohexylpentanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide Openeye Name: 2-(5-cyclohexylpentanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]pentanamide CAS Name: 2-[(5-cyclohexyl-1-oxopentyl)amino]-4-methyl-N-[7-methyl-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]pentanamide IUPAC Name: 2-(5-cyclohexylpentanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]pentanamide Traditional Name: 2-(5-cyclohexylpentanoylamino)-N-[3-keto-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-4-methyl-valeramide Formula: C29H46N4O6S MolecularWeight: 578.76374

Click to see the large picture

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)CCCCC3CCCCC3

Isomeric SMILES

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)CCCCC3CCCCC3

InChI

InChI=1S/C29H46N4O6S/c1-21(2)19-25(30-27(35)14-8-7-13-23-11-5-4-6-12-23)29(36)31-24-17-16-22(3)33(20-26(24)34)40(38,39)28-15-9-10-18-32(28)37/h9-10,15,18,21-25H,4-8,11-14,16-17,19-20H2,1-3H3,(H,30,35)(H,31,36)