4-oxidanylidene-4-[[3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-indol-6-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-indol-6-yl]amino]butanoic acid Openeye Name: 4-[[3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-indol-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[2-hydroxy-2-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1H-indol-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-indol-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[2-hydroxy-2-keto-1-[4-(2-pyrimidyl)piperazino]ethyl]-1H-indol-6-yl]amino]-4-keto-butyric acid Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(C3=CNC4=C3C=CC(=C4)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(C3=CNC4=C3C=CC(=C4)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H24N6O5/c29-18(4-5-19(30)31)26-14-2-3-15-16(13-25-17(15)12-14)20(21(32)33)27-8-10-28(11-9-27)22-23-6-1-7-24-22/h1-3,6-7,12-13,20,25H,4-5,8-11H2,(H,26,29)(H,30,31)(H,32,33)