(4-nitrophenyl)methyl 3-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-1-indolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[(2S)-2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]indole-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H27N3O8 MolecularWeight: 497.49718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C25H27N3O8/c1-25(2,3)36-23(30)26-20(22(29)34-4)13-17-14-27(21-8-6-5-7-19(17)21)24(31)35-15-16-9-11-18(12-10-16)28(32)33/h5-12,14,20H,13,15H2,1-4H3,(H,26,30)/t20-/m0/s1