2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-prop-2-ynyl-amino]ethanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-prop-2-ynyl-amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-prop-2-ynyl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-prop-2-ynylamino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-prop-2-ynylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-propargyl-amino]acetic acid Formula: C11H15NO4S MolecularWeight: 257.3061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC#C)CC(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC#C)CC(=O)O

InChI

InChI=1S/C11H15NO4S/c1-4-5-12(6-10(14)15)11(16)8(2)7-17-9(3)13/h1,8H,5-7H2,2-3H3,(H,14,15)