2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]ethanoic acid; carbon monoxide; iron

Systemtic Name: 2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]ethanoic acid; carbon monoxide; iron Openeye Name: 2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]acetic acid; carbon monoxide; iron CAS Name: 2-[[(2R)-2-acetamido-3-(1-cyclohexa-2,4-dienylthio)-1-oxopropyl]amino]acetic acid; carbon monoxide; iron IUPAC Name: 2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanylpropanoyl]amino]acetic acid; carbon monoxide; iron Traditional Name: 2-[[(2R)-2-acetamido-3-(cyclohexa-2,4-dien-1-ylthio)propanoyl]amino]acetic acid; carbon monoxide; iron Formula: C16H18FeN2O7S MolecularWeight: 438.23332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC=CC=C1)C(=O)NCC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(=O)N[C@@H](CSC1CC=CC=C1)C(=O)NCC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C13H18N2O4S.3CO.Fe/c1-9(16)15-11(13(19)14-7-12(17)18)8-20-10-5-3-2-4-6-10;3*1-2;/h2-5,10-11H,6-8H2,1H3,(H,14,19)(H,15,16)(H,17,18);;;;/t10?,11-;;;;/m0..../s1