methyl 3-(1H-indol-3-yl)-2-[[3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-3-methylsulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[3-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(methylthio)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CSC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CSC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5S/c1-31-23(29)20(12-17-13-25-19-11-7-6-10-18(17)19)26-22(28)21(15-33-2)27-24(30)32-14-16-8-4-3-5-9-16/h3-11,13,20-21,25H,12,14-15H2,1-2H3,(H,26,28)(H,27,30)