3-[[1-[(4-ethanoylpiperazin-1-yl)carbonylamino]cyclohexyl]carbonylamino]-2-oxidanyl-heptanoic acid

Systemtic Name: 3-[[1-[(4-ethanoylpiperazin-1-yl)carbonylamino]cyclohexyl]carbonylamino]-2-oxidanyl-heptanoic acid Openeye Name: 3-[[1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexanecarbonyl]amino]-2-hydroxy-heptanoic acid CAS Name: 3-[[[1-[[(4-acetyl-1-piperazinyl)-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]-2-hydroxyheptanoic acid IUPAC Name: 3-[[1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexanecarbonyl]amino]-2-hydroxyheptanoic acid Traditional Name: 3-[[1-[(4-acetylpiperazine-1-carbonyl)amino]cyclohexanecarbonyl]amino]-2-hydroxy-enanthic acid Formula: C21H36N4O6 MolecularWeight: 440.53374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(=O)O)O)NC(=O)C1(CCCCC1)NC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CCCCC(C(C(=O)O)O)NC(=O)C1(CCCCC1)NC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H36N4O6/c1-3-4-8-16(17(27)18(28)29)22-19(30)21(9-6-5-7-10-21)23-20(31)25-13-11-24(12-14-25)15(2)26/h16-17,27H,3-14H2,1-2H3,(H,22,30)(H,23,31)(H,28,29)