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

Systemtic Name: 3-(2-methyl-1H-indol-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-(2-methyl-1H-indol-3-yl)propanoic acid CAS Name: 3-(2-methyl-1H-indol-3-yl)-2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(2-methyl-1H-indol-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-(2-methyl-1H-indol-3-yl)propionic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC(C(=O)O)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CC(C(=O)O)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

InChI

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