5-[bis(azanyl)methylideneamino]-2-(3-fluorophenyl)sulfanyl-pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-(3-fluorophenyl)sulfanyl-pentanoic acid Openeye Name: 2-(3-fluorophenyl)sulfanyl-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[(3-fluorophenyl)thio]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-(3-fluorophenyl)sulfanylpentanoic acid Traditional Name: 2-[(3-fluorophenyl)thio]-5-guanidino-valeric acid Formula: C12H16FN3O2S MolecularWeight: 285.337743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC(CCCN=C(N)N)C(=O)O)F

Isomeric SMILES

C1=CC(=CC(=C1)SC(CCCN=C(N)N)C(=O)O)F

InChI

InChI=1S/C12H16FN3O2S/c13-8-3-1-4-9(7-8)19-10(11(17)18)5-2-6-16-12(14)15/h1,3-4,7,10H,2,5-6H2,(H,17,18)(H4,14,15,16)