(E)-2-[3-(2-ethanoylsulfanylethanoylamino)propanoylamino]but-2-enedioic acid

Systemtic Name: (E)-2-[3-(2-ethanoylsulfanylethanoylamino)propanoylamino]but-2-enedioic acid Openeye Name: (E)-2-[3-[(2-acetylsulfanylacetyl)amino]propanoylamino]but-2-enedioic acid CAS Name: (E)-2-[[3-[[2-(acetylthio)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-butenedioic acid IUPAC Name: (E)-2-[3-[(2-acetylsulfanylacetyl)amino]propanoylamino]but-2-enedioic acid Traditional Name: (E)-2-[3-[[2-(acetylthio)acetyl]amino]propanoylamino]but-2-enedioic acid Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCCC(=O)NC(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)SCC(=O)NCCC(=O)N/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C11H14N2O7S/c1-6(14)21-5-9(16)12-3-2-8(15)13-7(11(19)20)4-10(17)18/h4H,2-3,5H2,1H3,(H,12,16)(H,13,15)(H,17,18)(H,19,20)/b7-4+