(2S)-2-azanyl-4-methyl-N-(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)pentanamide Openeye Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridinylsulfonyl)-4-azepanyl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]-4-methyl-valeramide Formula: C17H28N4O4S MolecularWeight: 384.49362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=CC=N2)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=CC=N2)N

InChI

InChI=1S/C17H28N4O4S/c1-12(2)10-13(18)17(23)20-14-6-5-9-21(11-15(14)22)26(24,25)16-7-3-4-8-19-16/h3-4,7-8,12-15,22H,5-6,9-11,18H2,1-2H3,(H,20,23)/t13-,14?,15?/m0/s1