3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoic acid Openeye Name: 2-(1,1-dimethylpropoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-methylbutan-2-yloxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoic acid Traditional Name: 2-(tert-amyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-4-17(2,3)23-16(22)19-14(15(20)21)9-11-10-18-13-8-6-5-7-12(11)13/h5-8,10,14,18H,4,9H2,1-3H3,(H,19,22)(H,20,21)