5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7/c1-21(2,3)31-20(30)24-15(8-9-17(25)26)18(27)23-16(19(28)29)10-12-11-22-14-7-5-4-6-13(12)14/h4-7,11,15-16,22H,8-10H2,1-3H3,(H,23,27)(H,24,30)(H,25,26)(H,28,29)