(4-nitrophenyl) (2S)-6-[2-(1H-indol-3-yl)ethanoylamino]-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (4-nitrophenyl) (2S)-6-[2-(1H-indol-3-yl)ethanoylamino]-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (4-nitrophenyl) (2S)-2-(benzyloxycarbonylamino)-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoate CAS Name: (2S)-6-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-6-[[2-(1H-indol-3-yl)acetyl]amino]-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid (4-nitrophenyl) ester Formula: C30H30N4O7 MolecularWeight: 558.5818

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H30N4O7/c35-28(18-22-19-32-26-11-5-4-10-25(22)26)31-17-7-6-12-27(33-30(37)40-20-21-8-2-1-3-9-21)29(36)41-24-15-13-23(14-16-24)34(38)39/h1-5,8-11,13-16,19,27,32H,6-7,12,17-18,20H2,(H,31,35)(H,33,37)/t27-/m0/s1