methyl (2S)-3-indol-1-yl-2-[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]propanoate

Systemtic Name: methyl (2S)-3-indol-1-yl-2-[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]propanoate Openeye Name: methyl (2S)-2-[tert-butoxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3-indol-1-yl-propanoate CAS Name: (2S)-3-(1-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(4-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-indol-1-yl-2-[(2-methylpropan-2-yl)oxycarbonyl-[(4-nitrophenyl)methoxycarbonyl]amino]propanoate Traditional Name: (2S)-2-[tert-butoxycarbonyl-(4-nitrobenzyl)oxycarbonyl-amino]-3-indol-1-yl-propionic acid methyl ester Formula: C25H27N3O8 MolecularWeight: 497.49718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CN1C=CC2=CC=CC=C21)C(=O)OC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](CN1C=CC2=CC=CC=C21)C(=O)OC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O8/c1-25(2,3)36-24(31)27(23(30)35-16-17-9-11-19(12-10-17)28(32)33)21(22(29)34-4)15-26-14-13-18-7-5-6-8-20(18)26/h5-14,21H,15-16H2,1-4H3/t21-/m0/s1