methyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitro-4-phenylmethoxy-phenyl)sulfonylamino]hexanoate

Systemtic Name: methyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitro-4-phenylmethoxy-phenyl)sulfonylamino]hexanoate Openeye Name: methyl (2R)-2-[(4-benzyloxy-2-nitro-phenyl)sulfonylamino]-6-(tert-butoxycarbonylamino)hexanoate CAS Name: (2R)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]hexanoate Traditional Name: (2R)-2-[(4-benzoxy-2-nitro-phenyl)sulfonylamino]-6-(tert-butoxycarbonylamino)hexanoic acid methyl ester Formula: C25H33N3O9S MolecularWeight: 551.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@H](C(=O)OC)NS(=O)(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H33N3O9S/c1-25(2,3)37-24(30)26-15-9-8-12-20(23(29)35-4)27-38(33,34)22-14-13-19(16-21(22)28(31)32)36-17-18-10-6-5-7-11-18/h5-7,10-11,13-14,16,20,27H,8-9,12,15,17H2,1-4H3,(H,26,30)/t20-/m1/s1