3-(1-methylindol-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid

Systemtic Name: 3-(1-methylindol-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid CAS Name: 3-(1-methyl-3-indolyl)-2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1-methylindol-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-3-(1-methylindol-3-yl)propionic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)O

InChI

InChI=1S/C21H29N3O5/c1-20(2,3)29-19(28)23-21(4,5)18(27)22-15(17(25)26)11-13-12-24(6)16-10-8-7-9-14(13)16/h7-10,12,15H,11H2,1-6H3,(H,22,27)(H,23,28)(H,25,26)