methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate Openeye Name: methyl 2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O5/c1-13(2)18(25-21(28)30-22(3,4)5)19(26)24-17(20(27)29-6)11-14-12-23-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,23H,11H2,1-6H3,(H,24,26)(H,25,28)