2-azaniumylethylazanium; 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-azaniumylethylazanium; 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-azaniumylethylammonium; 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetic acid CAS Name: 2-ammonioethylammonium; 2-[[[3-[(2-mercapto-1-oxoethyl)amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-azaniumylethylazanium; 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetic acid Traditional Name: 2-ammonioethylammonium; 2-[[3-[(2-mercaptoacetyl)amino]benzoyl]amino]acetic acid Formula: C13H22N4O4S+2 MolecularWeight: 330.40318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)O.C(C[NH3+])[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)O.C(C[NH3+])[NH3+]

InChI

InChI=1S/C11H12N2O4S.C2H8N2/c14-9(6-18)13-8-3-1-2-7(4-8)11(17)12-5-10(15)16;3-1-2-4/h1-4,18H,5-6H2,(H,12,17)(H,13,14)(H,15,16);1-4H2/p+2