phenacyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)sulfonylamino]hexanoate

Systemtic Name: phenacyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)sulfonylamino]hexanoate Openeye Name: phenacyl (2S)-6-(tert-butoxycarbonylamino)-2-[(4-nitrophenyl)sulfonylamino]hexanoate CAS Name: (2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(4-nitrophenyl)sulfonylamino]hexanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)sulfonylamino]hexanoate Traditional Name: (2S)-6-(tert-butoxycarbonylamino)-2-(nosylamino)hexanoic acid phenacyl ester Formula: C25H31N3O9S MolecularWeight: 549.59334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)OCC(=O)C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O9S/c1-25(2,3)37-24(31)26-16-8-7-11-21(23(30)36-17-22(29)18-9-5-4-6-10-18)27-38(34,35)20-14-12-19(13-15-20)28(32)33/h4-6,9-10,12-15,21,27H,7-8,11,16-17H2,1-3H3,(H,26,31)/t21-/m0/s1