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

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid Openeye Name: 2-[[3-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid Traditional Name: 2-[[3-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-20(2,3)29-19(28)24-21(4,5)11-17(25)23-16(18(26)27)10-13-12-22-15-9-7-6-8-14(13)15/h6-9,12,16,22H,10-11H2,1-5H3,(H,23,25)(H,24,28)(H,26,27)