2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 5-phenyl-2-sulfanylidene-imidazolidin-4-one; hydrochloride

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 5-phenyl-2-sulfanylidene-imidazolidin-4-one; hydrochloride Openeye Name: 2-amino-5-guanidino-pentanoic acid; 5-phenyl-2-thioxo-imidazolidin-4-one; hydrochloride CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 5-phenyl-2-sulfanylidene-4-imidazolidinone; hydrochloride IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 5-phenyl-2-sulfanylideneimidazolidin-4-one; hydrochloride Traditional Name: 2-amino-5-guanidino-valeric acid; 5-phenyl-2-thioxo-4-imidazolidinone; hydrochloride Formula: C15H23ClN6O3S MolecularWeight: 402.89952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)NC(=S)N2.C(CC(C(=O)O)N)CN=C(N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)NC(=S)N2.C(CC(C(=O)O)N)CN=C(N)N.Cl

InChI

InChI=1S/C9H8N2OS.C6H14N4O2.ClH/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6;7-4(5(11)12)2-1-3-10-6(8)9;/h1-5,7H,(H2,10,11,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H