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

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 5-azanyl-2-oxidanyl-benzoic acid Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; 5-amino-2-hydroxy-benzoic acid CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 5-amino-2-hydroxybenzoic acid IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 5-amino-2-hydroxybenzoic acid Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; 5-amino-2-hydroxy-benzoic acid Formula: C13H21N5O5 MolecularWeight: 327.33634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C7H7NO3.C6H14N4O2/c8-4-1-2-6(9)5(3-4)7(10)11;7-4(5(11)12)2-1-3-10-6(8)9/h1-3,9H,8H2,(H,10,11);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1