5-[bis(azanyl)methylideneamino]-2-(2-sulfanylideneethylamino)pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-(2-sulfanylideneethylamino)pentanoic acid Openeye Name: 5-guanidino-2-(2-thioxoethylamino)pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-(2-sulfanylideneethylamino)pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-(2-sulfanylideneethylamino)pentanoic acid Traditional Name: 5-guanidino-2-(2-thioxoethylamino)valeric acid Formula: C8H16N4O2S MolecularWeight: 232.30324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16N4O2S/c9-8(10)12-3-1-2-6(7(13)14)11-4-5-15/h5-6,11H,1-4H2,(H,13,14)(H4,9,10,12)