(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; benzoic acid

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; benzoic acid Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; benzoic acid CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; benzoic acid IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; benzoic acid Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; benzoic acid Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C6H14N4O2/c8-7(9)6-4-2-1-3-5-6;7-4(5(11)12)2-1-3-10-6(8)9/h1-5H,(H,8,9);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1