2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5/c1-13(2)10-18(20(27)28)24-19(26)17(25-21(29)30-22(3,4)5)11-14-12-23-16-9-7-6-8-15(14)16/h6-9,12-13,17-18,23H,10-11H2,1-5H3,(H,24,26)(H,25,29)(H,27,28)