(phenylmethyl) 3-(1H-indol-3-yl)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoate Openeye Name: benzyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C30H30N4O6 MolecularWeight: 542.5824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H30N4O6/c35-27(17-33-30(38)40-20-22-11-5-2-6-12-22)32-18-28(36)34-26(29(37)39-19-21-9-3-1-4-10-21)15-23-16-31-25-14-8-7-13-24(23)25/h1-14,16,26,31H,15,17-20H2,(H,32,35)(H,33,38)(H,34,36)