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

Systemtic Name: 2-[4-[2-azanyl-4-oxidanylidene-4-(2-pyridin-4-ylpiperazin-1-yl)butanoyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-amino-4-oxo-4-[2-(4-pyridyl)piperazin-1-yl]butanoyl]-3-(2-methoxy-2-oxo-ethyl)-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-amino-1,4-dioxo-4-(2-pyridin-4-yl-1-piperazinyl)butyl]-3-(2-methoxy-2-oxoethyl)-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-amino-4-oxo-4-(2-pyridin-4-ylpiperazin-1-yl)butanoyl]-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-amino-4-keto-4-[2-(4-pyridyl)piperazino]butanoyl]-2-keto-3-(2-keto-2-methoxy-ethyl)piperazino]acetic acid Formula: C22H30N6O7 MolecularWeight: 490.5096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CCN1C(=O)C(CC(=O)N2CCNCC2C3=CC=NC=C3)N)CC(=O)O

Isomeric SMILES

COC(=O)CC1C(=O)N(CCN1C(=O)C(CC(=O)N2CCNCC2C3=CC=NC=C3)N)CC(=O)O

InChI

InChI=1S/C22H30N6O7/c1-35-20(32)11-16-22(34)26(13-19(30)31)8-9-28(16)21(33)15(23)10-18(29)27-7-6-25-12-17(27)14-2-4-24-5-3-14/h2-5,15-17,25H,6-13,23H2,1H3,(H,30,31)