2-[3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-(2-methoxy-2-oxo-ethyl)-2-oxo-4-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1,4-dioxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3-(2-methoxy-2-oxoethyl)-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(2-methoxy-2-oxoethyl)-2-oxo-4-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(2-keto-2-methoxy-ethyl)-4-[4-keto-4-[4-(2-pyrimidyl)piperazino]butanoyl]piperazino]acetic acid Formula: C21H28N6O7 MolecularWeight: 476.48302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CCN1C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)CC(=O)O

Isomeric SMILES

COC(=O)CC1C(=O)N(CCN1C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)CC(=O)O

InChI

InChI=1S/C21H28N6O7/c1-34-19(32)13-15-20(33)26(14-18(30)31)11-12-27(15)17(29)4-3-16(28)24-7-9-25(10-8-24)21-22-5-2-6-23-21/h2,5-6,15H,3-4,7-14H2,1H3,(H,30,31)