2-azanyl-4-methyl-N-[(3S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]pentanamide

Systemtic Name: 2-azanyl-4-methyl-N-[(3S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]pentanamide Openeye Name: 2-amino-N-[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-4-methyl-pentanamide CAS Name: 2-amino-N-[(3S)-3-hydroxy-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-4-azepanyl]-4-methylpentanamide IUPAC Name: 2-amino-N-[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonylazepan-4-yl]-4-methylpentanamide Traditional Name: 2-amino-N-[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-4-methyl-valeramide Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=CC=[N+]2[O-])N

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(C[C@@H]1O)S(=O)(=O)C2=CC=CC=[N+]2[O-])N

InChI

InChI=1S/C17H28N4O5S/c1-12(2)10-13(18)17(23)19-14-6-5-8-20(11-15(14)22)27(25,26)16-7-3-4-9-21(16)24/h3-4,7,9,12-15,22H,5-6,8,10-11,18H2,1-2H3,(H,19,23)/t13?,14?,15-/m0/s1