deferrichrome

AlkaPlorer ID: AK007880

Synonym: 'Desferriferrichrome', 'desferrichrome', 'N-Desferriferrichrome', 'N-Dffc', 'Ferrichrome', 'ferrichrome with no bound iron', 'Desferrichrome'

IUPAC Name: N-[3-[(2S,5S,8S)-5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide

Structure

SMILES: CC(=O)N(O)CCC[C@@H]1N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@H](CCCN(O)C(C)=O)N=C(O)[C@H](CCCN(O)C(C)=O)N=C1O

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InChI: InChI=1S/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39/h19-21,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44)/t19-,20-,21-/m0/s1

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InChIKey: ZFDAUYPBCXMSBF-ACRUOGEOSA-N

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Properties Information

Molecule Weight: 687.7080000000001

TPSA: 317.16

MolLogP: 0.8985000000000083

Number of H-Donors: 9

Number of H-Acceptors: 12

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information