tert-butyl N-[(2S)-4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[3-hydroxy-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C22H36N4O7S MolecularWeight: 500.60884

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O7S/c1-15(2)13-17(24-21(29)33-22(3,4)5)20(28)23-16-9-8-11-25(14-18(16)27)34(31,32)19-10-6-7-12-26(19)30/h6-7,10,12,15-18,27H,8-9,11,13-14H2,1-5H3,(H,23,28)(H,24,29)/t16?,17-,18?/m0/s1