[4-methyl-1-[[(3S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamic acid

Systemtic Name: [4-methyl-1-[[(3S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamic acid Openeye Name: [1-[[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamic acid CAS Name: [1-[[(3S)-3-hydroxy-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid IUPAC Name: [1-[[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid Traditional Name: [1-[[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamic acid Formula: C18H28N4O7S MolecularWeight: 444.50252

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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-])NC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O7S/c1-12(2)10-14(20-18(25)26)17(24)19-13-6-5-8-21(11-15(13)23)30(28,29)16-7-3-4-9-22(16)27/h3-4,7,9,12-15,20,23H,5-6,8,10-11H2,1-2H3,(H,19,24)(H,25,26)/t13?,14?,15-/m0/s1