3-(1H-indol-3-yl)-2-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl-phenethyl-amino]ethyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl-phenethyl-amino]ethyl]amino]propanoic acid Openeye Name: 2-[1-[tert-butoxycarbonyl(phenethyl)amino]ethyl-methyl-amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[methyl-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenethylamino]ethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl-phenethylamino]ethyl]amino]propanoic acid Traditional Name: 2-[1-[tert-butoxycarbonyl(phenethyl)amino]ethyl-methyl-amino]-3-(1H-indol-3-yl)propionic acid Formula: C27H35N3O4 MolecularWeight: 465.5845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C(CC1=CNC2=CC=CC=C21)C(=O)O)N(CCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(N(C)C(CC1=CNC2=CC=CC=C21)C(=O)O)N(CCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N3O4/c1-19(30(26(33)34-27(2,3)4)16-15-20-11-7-6-8-12-20)29(5)24(25(31)32)17-21-18-28-23-14-10-9-13-22(21)23/h6-14,18-19,24,28H,15-17H2,1-5H3,(H,31,32)