methyl 3-(1H-indol-3-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-(1H-indol-3-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(1H-indole-3-carbonylamino)propanoate CAS Name: 3-[[1H-indol-3-yl(oxo)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indole-3-carbonylamino)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indole-3-carbonylamino)propionic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CNC(=O)C1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-28-20(26)18(24-21(27)29-13-14-7-3-2-4-8-14)12-23-19(25)16-11-22-17-10-6-5-9-15(16)17/h2-11,18,22H,12-13H2,1H3,(H,23,25)(H,24,27)