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

Systemtic Name: 4-azanyl-2-[(1-azanyl-2-fluoranyl-ethylidene)amino]-3-(sulfanylmethyl)hexanoic acid dihydrochloride Openeye Name: 4-amino-2-[(1-amino-2-fluoro-ethylidene)amino]-3-(sulfanylmethyl)hexanoic acid dihydrochloride CAS Name: 4-amino-2-[(1-amino-2-fluoroethylidene)amino]-3-(mercaptomethyl)hexanoic acid dihydrochloride IUPAC Name: 4-amino-2-[(1-amino-2-fluoroethylidene)amino]-3-(sulfanylmethyl)hexanoic acid dihydrochloride Traditional Name: 4-amino-2-[(1-amino-2-fluoro-ethylidene)amino]-3-(mercaptomethyl)hexanoic acid dihydrochloride Formula: C9H20Cl2FN3O2S MolecularWeight: 324.243403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18FN3O2S.2ClH/c1-2-6(11)5(4-16)8(9(14)15)13-7(12)3-10;;/h5-6,8,16H,2-4,11H2,1H3,(H2,12,13)(H,14,15);2*1H