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Substance Name: Hydrogenobyrinic acid-a,c-diamide
RN: 73367-51-8
InChIKey: BYLRAQWTUVCQLV-XJSPLSMOSA-N

Molecular Formula

  • C45-H62-N6-O12

Molecular Weight

  • 879.0148
 
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Names and Synonyms

Name of Substance

  • Hydrogenobyrinic acid-a,c-diamide

Synonym

  • HB-A,C-D

Systematic Name

  • Hydrogenobyrinic acid-ac-diamide

Registry Numbers

CAS Registry Number

  • 73367-51-8

System Generated Number

  • 0073367518

Structure Descriptors

InChI

1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,50H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b28-18-,38-21-,39-22-

InChIKey

BYLRAQWTUVCQLV-XJSPLSMOSA-N

Smiles

C\C\1=C/2\NC(C(CC(=O)O)C2(C)CCC(=O)O)C3(C)N=C(C(CCC(=O)O)C3(C)CC(=O)N)\C(=C\4/N=C(\C=C\5/N=C1C(CCC(=O)O)C5(C)C)C(CCC(=O)O)C4(C)CC(=O)N)\C