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

Systemtic Name: methyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxy-phenyl)sulfonyl-amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: methyl (2R)-2-[(4-benzyloxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]-6-(tert-butoxycarbonylamino)hexanoate CAS Name: (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (2R)-2-[(4-benzoxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]-6-(tert-butoxycarbonylamino)hexanoic acid methyl ester Formula: C27H36BrN3O9S MolecularWeight: 658.55844

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H36BrN3O9S/c1-27(2,3)40-26(33)29-16-9-8-12-22(25(32)38-4)30(17-15-28)41(36,37)24-14-13-21(18-23(24)31(34)35)39-19-20-10-6-5-7-11-20/h5-7,10-11,13-14,18,22H,8-9,12,15-17,19H2,1-4H3,(H,29,33)/t22-/m1/s1