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Substance Name: L-Histidinyl-D-penicillaminatocobalt(III)
RN: 60478-99-1
InChIKey: KRFYPMXEYPDRFJ-NITNSPKXSA-K

Note

  • Model for binding of D-penicillamine to metal ions.

Molecular Formula

  • C11-H17-Co-N4-O4-S.H2-O

Molecular Weight

  • 378.2931
 
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Names and Synonyms

Name of Substance

  • L-Histidinyl-D-penicillaminatocobalt(III)

Systematic Name

  • Cobalt, (L-histidinato-N,N3,O)(3-mercapto-D-valinato(2-)-N,O,S)-, monohydrate, (OC-6-36-A)-

Registry Numbers

CAS Registry Number

  • 60478-99-1

System Generated Number

  • 0060478991

Molecular Formulas

Molecular Formula

  • C11-H17-Co-N4-O4-S.H2-O

Molecular Formula Fragments

  • C11-H17-Co-N4-O4-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C6H9N3O2.C5H11NO2S.Co.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;1-5(2,9)3(6)4(7)8;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);3,9H,6H2,1-2H3,(H,7,8);;1H2/q;;+3;/p-3/t5-;3-;;/m00../s1

InChIKey

KRFYPMXEYPDRFJ-NITNSPKXSA-K

Smiles

O.CC1(C)S[Co](OC(=O)[C@@H](N)Cc2cnc[nH]2)OC(=O)[C@@H]1N