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

Systemtic Name: (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylsulfonylethoxycarbonylamino)hexanoate Openeye Name: (4-nitrophenyl) (2S)-2-(tert-butoxycarbonylamino)-6-(2-methylsulfonylethoxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[2-methylsulfonylethoxy(oxo)methyl]amino]hexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylsulfonylethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-6-(2-mesylethoxycarbonylamino)hexanoic acid (4-nitrophenyl) ester Formula: C21H31N3O10S MolecularWeight: 517.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCCS(=O)(=O)C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O10S/c1-21(2,3)34-20(27)23-17(18(25)33-16-10-8-15(9-11-16)24(28)29)7-5-6-12-22-19(26)32-13-14-35(4,30)31/h8-11,17H,5-7,12-14H2,1-4H3,(H,22,26)(H,23,27)/t17-/m0/s1