[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]carbamic acid

Systemtic Name: [(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]carbamic acid Openeye Name: [(1S)-1-[[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamic acid CAS Name: [(2S)-1-[[3-hydroxy-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid IUPAC Name: [(2S)-1-[(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamic acid Traditional Name: [(1S)-1-[[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamic acid Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6S/c1-12(2)10-14(21-18(25)26)17(24)20-13-6-5-9-22(11-15(13)23)29(27,28)16-7-3-4-8-19-16/h3-4,7-8,12-15,21,23H,5-6,9-11H2,1-2H3,(H,20,24)(H,25,26)/t13?,14-,15?/m0/s1