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

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate Openeye Name: benzyl 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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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)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O5/c32-26(17-30-28(34)36-19-21-11-5-2-6-12-21)31-25(27(33)35-18-20-9-3-1-4-10-20)15-22-16-29-24-14-8-7-13-23(22)24/h1-14,16,25,29H,15,17-19H2,(H,30,34)(H,31,32)