2,4-bis(azanyl)-3-oxidanylidene-butanoic acid; 1-(cyclohexylamino)ethanesulfonic acid

Systemtic Name: 2,4-bis(azanyl)-3-oxidanylidene-butanoic acid; 1-(cyclohexylamino)ethanesulfonic acid Openeye Name: 1-(cyclohexylamino)ethanesulfonic acid; 2,4-diamino-3-oxo-butanoic acid CAS Name: 1-(cyclohexylamino)ethanesulfonic acid; 2,4-diamino-3-oxobutanoic acid IUPAC Name: 1-(cyclohexylamino)ethanesulfonic acid; 2,4-diamino-3-oxobutanoic acid Traditional Name: 1-(cyclohexylamino)ethanesulfonic acid; 2,4-diamino-3-keto-butyric acid Formula: C12H25N3O6S MolecularWeight: 339.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1CCCCC1)S(=O)(=O)O.C(C(=O)C(C(=O)O)N)N

Isomeric SMILES

CC(NC1CCCCC1)S(=O)(=O)O.C(C(=O)C(C(=O)O)N)N

InChI

InChI=1S/C8H17NO3S.C4H8N2O3/c1-7(13(10,11)12)9-8-5-3-2-4-6-8;5-1-2(7)3(6)4(8)9/h7-9H,2-6H2,1H3,(H,10,11,12);3H,1,5-6H2,(H,8,9)