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

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-(3-fluorophenyl)sulfinyl-pentanoic acid Openeye Name: 2-(3-fluorophenyl)sulfinyl-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-(3-fluorophenyl)sulfinylpentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-(3-fluorophenyl)sulfinylpentanoic acid Traditional Name: 2-(3-fluorophenyl)sulfinyl-5-guanidino-valeric acid Formula: C12H16FN3O3S MolecularWeight: 301.337143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16FN3O3S/c13-8-3-1-4-9(7-8)20(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)