(2S)-2-methyl-N'-[(4S,7R)-7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanediamide

Systemtic Name: (2S)-2-methyl-N'-[(4S,7R)-7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanediamide Openeye Name: (2S)-2-methyl-N'-[(4S,7R)-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]pentanediamide CAS Name: (2S)-2-methyl-N'-[(4S,7R)-7-methyl-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]pentanediamide IUPAC Name: (2S)-2-methyl-N'-[(4S,7R)-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]pentanediamide Traditional Name: (2S)-N'-[(4S,7R)-3-keto-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-2-methyl-glutaramide Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC[C@@H](C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)CC[C@H](C)C(=O)N

InChI

InChI=1S/C18H26N4O6S/c1-12(18(19)25)6-9-16(24)20-14-8-7-13(2)22(11-15(14)23)29(27,28)17-5-3-4-10-21(17)26/h3-5,10,12-14H,6-9,11H2,1-2H3,(H2,19,25)(H,20,24)/t12-,13+,14-/m0/s1