tert-butyl N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]carbamate CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C22H34N4O6S MolecularWeight: 482.59356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N4O6S/c1-15(2)13-17(25-21(29)32-22(3,4)5)20(28)24-16-9-8-12-26(14-18(16)27)33(30,31)19-10-6-7-11-23-19/h6-7,10-11,15-17H,8-9,12-14H2,1-5H3,(H,24,28)(H,25,29)/t16?,17-/m0/s1