2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylcyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylcyclohepta-2,4,6-trien-1-one Openeye Name: 2-amino-5-guanidino-pentanoic acid; 2-hydroxycyclohepta-2,4,6-trien-1-one CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 2-amino-5-guanidino-valeric acid; 2-hydroxycyclohepta-2,4,6-trien-1-one Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C6H14N4O2/c8-6-4-2-1-3-5-7(6)9;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)