3-[[2-oxidanylidene-2-[2-(2-sulfanylethanoylamino)ethylamino]ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-oxidanylidene-2-[2-(2-sulfanylethanoylamino)ethylamino]ethyl]amino]propanoic acid Openeye Name: 3-[[2-oxo-2-[2-[(2-sulfanylacetyl)amino]ethylamino]ethyl]amino]propanoic acid CAS Name: 3-[[2-[2-[(2-mercapto-1-oxoethyl)amino]ethylamino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-oxo-2-[2-[(2-sulfanylacetyl)amino]ethylamino]ethyl]amino]propanoic acid Traditional Name: 3-[[2-keto-2-[2-[(2-mercaptoacetyl)amino]ethylamino]ethyl]amino]propionic acid Formula: C9H17N3O4S MolecularWeight: 263.31398

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Descriptors Computed from Structure

Canonical SMILES:

C(CNCC(=O)NCCNC(=O)CS)C(=O)O

Isomeric SMILES

C(CNCC(=O)NCCNC(=O)CS)C(=O)O

InChI

InChI=1S/C9H17N3O4S/c13-7(5-10-2-1-9(15)16)11-3-4-12-8(14)6-17/h10,17H,1-6H2,(H,11,13)(H,12,14)(H,15,16)