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Substance Name: 3,3'-Dithiobis(3'-O-6-(propionylamino)hexanoyl)adenosine 5'-triphosphate
RN: 104693-47-2
InChIKey: QUIKTLUMMZOFEM-AHPLQVIFSA-N

Molecular Weight

  • 1179.02
 
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Names and Synonyms

Name of Substance

  • 3,3'-Dithiobis(3'-O-6-(propionylamino)hexanoyl)adenosine 5'-triphosphate

Synonym

  • 3'-Bis22ATP

Registry Numbers

CAS Registry Number

  • 104693-47-2

System Generated Number

  • 0104693472

Structure Descriptors

InChI

1S/C38H61N12O21P3S2/c1-3-23(52)41-13-9-5-7-11-25(54)68-31-21(15-51)66-37(29(31)56)47-17-43-27-33(39)45-19-49(35(27)47)75-76-50-20-46-34(40)28-36(50)48(18-44-28)38-30(57)32(69-26(55)12-8-6-10-14-42-24(53)4-2)22(67-38)16-65-73(61,62)71-74(63,64)70-72(58,59)60/h17-22,29-32,35-38,51,56-57H,3-16,39-40H2,1-2H3,(H,41,52)(H,42,53)(H,61,62)(H,63,64)(H2,58,59,60)/t21-,22-,29-,30-,31-,32-,35?,36?,37+,38+/m1/s1

InChIKey

QUIKTLUMMZOFEM-AHPLQVIFSA-N

Smiles

S(N1C=NC(=C2N=CN([C@@H]3[C@@H]([C@@H]([C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O3)OC(CCCCCNC(=O)CC)=O)O)[C@@H]12)N)SN1C=NC(=C2N=CN([C@@H]3[C@@H]([C@@H]([C@H](CO)O3)OC(CCCCCNC(=O)CC)=O)O)[C@@H]12)N