carbon monoxide; ethyl (2S)-2-[2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]ethanoylamino]propanoate; iron

Systemtic Name: carbon monoxide; ethyl (2S)-2-[2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]ethanoylamino]propanoate; iron Openeye Name: carbon monoxide; ethyl (2S)-2-[[2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]acetyl]amino]propanoate; iron CAS Name: (2S)-2-[[2-[[(2R)-2-acetamido-3-(1-cyclohexa-2,4-dienylthio)-1-oxopropyl]amino]-1-oxoethyl]amino]propanoic acid ethyl ester; carbon monoxide; iron IUPAC Name: carbon monoxide; ethyl (2S)-2-[[2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanylpropanoyl]amino]acetyl]amino]propanoate; iron Traditional Name: (2S)-2-[[2-[[(2R)-2-acetamido-3-(cyclohexa-2,4-dien-1-ylthio)propanoyl]amino]acetyl]amino]propionic acid ethyl ester; carbon monoxide; iron Formula: C21H27FeN3O8S MolecularWeight: 537.36438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CSC1CC=CC=C1)NC(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C18H27N3O5S.3CO.Fe/c1-4-26-18(25)12(2)20-16(23)10-19-17(24)15(21-13(3)22)11-27-14-8-6-5-7-9-14;3*1-2;/h5-8,12,14-15H,4,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22);;;;/t12-,14?,15-;;;;/m0..../s1