4-[[1-(2,2-dimethylpropanoyloxy)-2-oxidanyl-3-propanoyl-indol-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-(2,2-dimethylpropanoyloxy)-2-oxidanyl-3-propanoyl-indol-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-(2,2-dimethylpropanoyloxy)-2-hydroxy-3-propanoyl-indol-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-(2,2-dimethyl-1-oxopropoxy)-2-hydroxy-3-(1-oxopropyl)-6-indolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-(2,2-dimethylpropanoyloxy)-2-hydroxy-3-propanoylindol-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(2-hydroxy-1-pivaloyloxy-3-propionyl-indol-6-yl)amino]-4-keto-butyric acid Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)CCC(=O)O)OC(=O)C(C)(C)C)O

Isomeric SMILES

CCC(=O)C1=C(N(C2=C1C=CC(=C2)NC(=O)CCC(=O)O)OC(=O)C(C)(C)C)O

InChI

InChI=1S/C20H24N2O7/c1-5-14(23)17-12-7-6-11(21-15(24)8-9-16(25)26)10-13(12)22(18(17)27)29-19(28)20(2,3)4/h6-7,10,27H,5,8-9H2,1-4H3,(H,21,24)(H,25,26)