(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 3-fluoranyl-1H-quinolin-2-one

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 3-fluoranyl-1H-quinolin-2-one Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; 3-fluoro-1H-quinolin-2-one CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-fluoro-1H-quinolin-2-one IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-fluoro-1H-quinolin-2-one Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; 3-fluorocarbostyril Formula: C15H20FN5O3 MolecularWeight: 337.349403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)N2)F.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)N2)F.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C9H6FNO.C6H14N4O2/c10-7-5-6-3-1-2-4-8(6)11-9(7)12;7-4(5(11)12)2-1-3-10-6(8)9/h1-5H,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1