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2-azanylpentanedioic acid; 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; pentahydrate

Systemtic Name:	2-azanylpentanedioic acid; 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; pentahydrate
Openeye Name:	2-aminopentanedioic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; pentahydrate
CAS Name:	2-aminopentanedioic acid; 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; pentahydrate
IUPAC Name:	2-aminopentanedioic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; pentahydrate
Traditional Name:	2-aminoglutaric acid; 1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid; pentahydrate
Formula:	C₂₁₀H₂₈₀F₁₀N₄₀O₇₅
MolecularWeight:	4754.677232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.O.O.O.O.O

Isomeric SMILES

InChI

InChI=1S/10C16H18FN3O3.10C5H9NO4.5H2O/c10*1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;10*6-3(5(9)10)1-2-4(7)8;;;;;/h10*7-9,18H,2-6H2,1H3,(H,22,23);10*3H,1-2,6H2,(H,7,8)(H,9,10);5*1H2

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