3-(1-butylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(1-butylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(1-butylindol-3-yl)propanoic acid CAS Name: 3-(1-butyl-3-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1-butylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-butylindol-3-yl)propionic acid Formula: C20H28N2O4 MolecularWeight: 360.44732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O4/c1-5-6-11-22-13-14(15-9-7-8-10-17(15)22)12-16(18(23)24)21-19(25)26-20(2,3)4/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,21,25)(H,23,24)