3-(1H-indol-3-yl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid Openeye Name: 2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid Traditional Name: 2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C22H31N3O5 MolecularWeight: 417.49864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)30-21(29)23-12-8-4-5-11-19(26)25-18(20(27)28)13-15-14-24-17-10-7-6-9-16(15)17/h6-7,9-10,14,18,24H,4-5,8,11-13H2,1-3H3,(H,23,29)(H,25,26)(H,27,28)