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

Systemtic Name: 3-(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-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(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-(1H-indol-3-yl)propionic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C20H27N3O5/c1-19(2,3)28-18(27)23-20(4,5)17(26)22-15(16(24)25)10-12-11-21-14-9-7-6-8-13(12)14/h6-9,11,15,21H,10H2,1-5H3,(H,22,26)(H,23,27)(H,24,25)