(4-nitrophenyl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-nitrophenyl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-nitrophenyl) (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (4-nitrophenyl) ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O6/c29-24(34-20-12-10-19(11-13-20)28(31)32)23(14-18-15-26-22-9-5-4-8-21(18)22)27-25(30)33-16-17-6-2-1-3-7-17/h1-13,15,23,26H,14,16H2,(H,27,30)/t23-/m0/s1