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

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-1-[(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[3-hydroxy-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C25H34N4O6S MolecularWeight: 518.62566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCN(CC2O)S(=O)(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2CCCN(CC2O)S(=O)(=O)C3=CC=CC=N3

InChI

InChI=1S/C25H34N4O6S/c1-25(2,3)35-24(32)28-20(16-18-10-5-4-6-11-18)23(31)27-19-12-9-15-29(17-21(19)30)36(33,34)22-13-7-8-14-26-22/h4-8,10-11,13-14,19-21,30H,9,12,15-17H2,1-3H3,(H,27,31)(H,28,32)/t19?,20-,21?/m0/s1