4-azanyl-2-[(1-azanyl-2-fluoranyl-ethylidene)amino]-3-sulfanyl-hexanoic acid dihydrochloride

Systemtic Name: 4-azanyl-2-[(1-azanyl-2-fluoranyl-ethylidene)amino]-3-sulfanyl-hexanoic acid dihydrochloride Openeye Name: 4-amino-2-[(1-amino-2-fluoro-ethylidene)amino]-3-sulfanyl-hexanoic acid dihydrochloride CAS Name: 4-amino-2-[(1-amino-2-fluoroethylidene)amino]-3-mercaptohexanoic acid dihydrochloride IUPAC Name: 4-amino-2-[(1-amino-2-fluoroethylidene)amino]-3-sulfanylhexanoic acid dihydrochloride Traditional Name: 4-amino-2-[(1-amino-2-fluoro-ethylidene)amino]-3-mercapto-hexanoic acid dihydrochloride Formula: C8H18Cl2FN3O2S MolecularWeight: 310.216823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(=O)O)N=C(CF)N)S)N.Cl.Cl

Isomeric SMILES

CCC(C(C(C(=O)O)N=C(CF)N)S)N.Cl.Cl

InChI

InChI=1S/C8H16FN3O2S.2ClH/c1-2-4(10)7(15)6(8(13)14)12-5(11)3-9;;/h4,6-7,15H,2-3,10H2,1H3,(H2,11,12)(H,13,14);2*1H