2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 1-sulfanylethanesulfonic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 1-sulfanylethanesulfonic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; 1-sulfanylethanesulfonic acid CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 1-mercaptoethanesulfonic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 1-sulfanylethanesulfonic acid Traditional Name: 2-amino-5-guanidino-valeric acid; 1-mercaptoethanesulfonic acid Formula: C8H20N4O5S2 MolecularWeight: 316.3982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14N4O2.C2H6O3S2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(6)7(3,4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2,6H,1H3,(H,3,4,5)