methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-nitro-1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-nitro-1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(6-nitro-1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(6-nitro-1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-nitro-1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(6-nitro-1H-indol-3-yl)propionic acid methyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H21N3O6/c1-17(2,3)26-16(22)19-14(15(21)25-4)7-10-9-18-13-8-11(20(23)24)5-6-12(10)13/h5-6,8-9,14,18H,7H2,1-4H3,(H,19,22)/t14-/m0/s1