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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(C[C@@H](C(=O)O)N)CN=C(N)N.C(CS(=O)(=O)O)S

InChI

InChI=1S/C6H14N4O2.C2H6O3S2/c7-4(5(11)12)2-1-3-10-6(8)9;3-7(4,5)2-1-6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);6H,1-2H2,(H,3,4,5)/t4-;/m0./s1