Cyclo(glycyl-N~5~-acetyl-N~5~-hydroxyornithyl-N~5~-acetyl-N~5~-hydroxyornithyl-N~5~-acetyl-N~5~-hydroxyornithylglycylseryl)--iron (1/1)

HCID 25200076

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Basic information

CAS: 15134-70-0
Standard SMILES: CC(=O)N(O)CCCC1NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC1=O.[Fe]
InChIKey: QLXOENUMLPDRSK-UHFFFAOYSA-N
Molecular formula: C28H47FeN9O13
Average molar mass: 773.6 g/mol
Monoisotopic mass: 773.264268

Names & identifiers

Preferred name: Cyclo(glycyl-N~5~-acetyl-N~5~-hydroxyornithyl-N~5~-acetyl-N~5~-hydroxyornithyl-N~5~-acetyl-N~5~-hydroxyornithylglycylseryl)--iron (1/1)
IUPAC: N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide;iron

Names & synonyms

DTXSID0067010615134-70-0PD052772Cyclo(glycyl-N~5~-acetyl-N~5~-hydroxyornithyl-N~5~-acetyl-N~5~-hydroxyornithyl-N~5~-acetyl-N~5~-hydroxyornithylglycylseryl)--iron (1/1)

Database identifiers

CAS: 15134-70-0
PubChem CID: 25200076
DTXSID: DTXSID00670106

Properties

Computed structural properties

Topological polar surface area: 316 Å²
Hydrogen bond donors: 10
Hydrogen bond acceptors: 13
Rotatable bonds: 13
Heavy atoms: 51
Formal charge: 0
Complexity: 1,250

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