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

Systemtic Name: 3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(1-methylindol-3-yl)-3-phenyl-propanoic acid CAS Name: 3-(1-methyl-3-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-methylindol-3-yl)-3-phenyl-propionic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CN(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CN(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C23H26N2O4/c1-23(2,3)29-22(28)24-20(21(26)27)19(15-10-6-5-7-11-15)17-14-25(4)18-13-9-8-12-16(17)18/h5-14,19-20H,1-4H3,(H,24,28)(H,26,27)