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

Systemtic Name: 2-[3-(2-methoxy-2-oxidanylidene-ethyl)-4-[2-(methylsulfanylcarbonylamino)-4-oxidanylidene-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-(2-methoxy-2-oxo-ethyl)-4-[2-(methylsulfanylcarbonylamino)-4-oxo-4-[4-(4-pyridyl)piperazin-1-yl]butanoyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-(2-methoxy-2-oxoethyl)-4-[2-[[(methylthio)-oxomethyl]amino]-1,4-dioxo-4-(4-pyridin-4-yl-1-piperazinyl)butyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(2-methoxy-2-oxoethyl)-4-[2-(methylsulfanylcarbonylamino)-4-oxo-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(2-keto-2-methoxy-ethyl)-4-[4-keto-2-[(methylthio)carbonylamino]-4-[4-(4-pyridyl)piperazino]butanoyl]piperazino]acetic acid Formula: C24H32N6O8S MolecularWeight: 564.61128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CCN1C(=O)C(CC(=O)N2CCN(CC2)C3=CC=NC=C3)NC(=O)SC)CC(=O)O

Isomeric SMILES

COC(=O)CC1C(=O)N(CCN1C(=O)C(CC(=O)N2CCN(CC2)C3=CC=NC=C3)NC(=O)SC)CC(=O)O

InChI

InChI=1S/C24H32N6O8S/c1-38-21(34)14-18-23(36)29(15-20(32)33)11-12-30(18)22(35)17(26-24(37)39-2)13-19(31)28-9-7-27(8-10-28)16-3-5-25-6-4-16/h3-6,17-18H,7-15H2,1-2H3,(H,26,37)(H,32,33)