3-[2-(1-azaniumylethylamino)ethylsulfanyl]-2-azanyl-2-methyl-propanoate

Systemtic Name: 3-[2-(1-azaniumylethylamino)ethylsulfanyl]-2-azanyl-2-methyl-propanoate Openeye Name: 2-amino-3-[2-(1-azaniumylethylamino)ethylsulfanyl]-2-methyl-propanoate CAS Name: 2-amino-3-[2-(1-ammonioethylamino)ethylthio]-2-methylpropanoate IUPAC Name: 2-amino-3-[2-(1-azaniumylethylamino)ethylsulfanyl]-2-methylpropanoate Traditional Name: 2-amino-3-[2-(1-ammonioethylamino)ethylthio]-2-methyl-propionate Formula: C8H19N3O2S MolecularWeight: 221.32036

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Descriptors Computed from Structure

Canonical SMILES:

CC([NH3+])NCCSCC(C)(C(=O)[O-])N

Isomeric SMILES

CC([NH3+])NCCSCC(C)(C(=O)[O-])N

InChI

InChI=1S/C8H19N3O2S/c1-6(9)11-3-4-14-5-8(2,10)7(12)13/h6,11H,3-5,9-10H2,1-2H3,(H,12,13)