N-[3-[4,16-Bis[3-[acetyl(oxido)amino]propyl]-2,5,8,11,14,17-hexaoxo-3,6,9,12,15,18-hexazacyclooctadec-1-yl]propyl]-N-oxidoacetamide; iron(3+)

Catalog Number

ACM11047124

Product Name

N-[3-[4,16-Bis[3-[acetyl(oxido)amino]propyl]-2,5,8,11,14,17-hexaoxo-3,6,9,12,15,18-hexazacyclooctadec-1-yl]propyl]-N-oxidoacetamide; iron(3+)

CAS

11047-12-4

Category

Heterocyclic Organic Compound

Synonyms

15630-64-5, 11047-12-4, N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide; iron(3+), AC1LD8UX, 21872-77-5, AC1L1D6V, EINECS 239-706-0, 162602-16-6, iron(3+) cyclo(glycyl-N5-acetyl-N5-oxidoornithyl-N5-acetyl-N5-oxidoornithyl-N5-acetyl-N5-oxidoornithylglycylglycyl), Iron, (cyclo(glycylglycylglycyl-N5-(acetyl-kappaO)-N5-(hydroxy-kappaO)-L-ornithyl-N5-(acetyl-kappaO)-N5-(hydroxy-kappaO)-L-ornithyl-N5-(acetyl-kappaO)-N5-(hydroxy-kappaO)-L-ornithyl)ato(3-))-, (OC-6-64)-

IUPAC Name

N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide;iron(3+)

Molecular Weight

740.521 g/mol

Molecular Formula

C₂₇H₄₂FeN₉O₁₂

Canonical SMILES

CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)[O-])CCCN(C(=O)C)[O-])[O-].[Fe+3]

InChI Key

GGUNGDGGXMHBMJ-UHFFFAOYSA-N

EC Number

239-706-0

H-Bond Acceptor

12

H-Bond Donor

6

MSDS

COA

Spec Sheet