[5-nitro-1-(2-nitrophenyl)sulfonyl-indol-3-yl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: [5-nitro-1-(2-nitrophenyl)sulfonyl-indol-3-yl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: [5-nitro-1-(2-nitrophenyl)sulfonyl-indol-3-yl]methyl (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid [5-nitro-1-(2-nitrophenyl)sulfonyl-3-indolyl]methyl ester IUPAC Name: [5-nitro-1-(2-nitrophenyl)sulfonylindol-3-yl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid [5-nitro-1-(2-nitrophenyl)sulfonyl-indol-3-yl]methyl ester Formula: C29H28N4O10S MolecularWeight: 624.61842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O10S/c1-29(2,3)43-28(35)30-23(15-19-9-5-4-6-10-19)27(34)42-18-20-17-31(24-14-13-21(32(36)37)16-22(20)24)44(40,41)26-12-8-7-11-25(26)33(38)39/h4-14,16-17,23H,15,18H2,1-3H3,(H,30,35)/t23-/m0/s1