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Substance Name: Biotin-19-SS-dutp
RN: 104142-46-3
InChIKey: BVFVAYBZGIQMFG-VOTSOKGWSA-N

Molecular Formula

  • C33-H54-N7-O18-P3-S3

Molecular Weight

  • 1025.94
 
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Names and Synonyms

Name of Substance

  • Biotin-19-SS-dutp

Synonym

  • Bio-19-SS-dutp

Systematic Name

  • Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(24-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-5,13,20-trioxo-8,9-dithia-4,12,19-triazatetratetracos-1-en-1-yl)-

Registry Numbers

CAS Registry Number

  • 104142-46-3

System Generated Number

  • 0104142463

Structure Descriptors

InChI

1S/C33H54N7O18P3S3/c41-23-17-29(56-24(23)19-55-60(51,52)58-61(53,54)57-59(48,49)50)40-18-21(31(45)39-33(40)47)7-6-13-35-28(44)11-15-63-64-16-14-36-27(43)9-2-1-5-12-34-26(42)10-4-3-8-25-30-22(20-62-25)37-32(46)38-30/h6-7,18,22-25,29-30,41H,1-5,8-17,19-20H2,(H,34,42)(H,35,44)(H,36,43)(H,51,52)(H,53,54)(H2,37,38,46)(H,39,45,47)(H2,48,49,50)/b7-6+

InChIKey

BVFVAYBZGIQMFG-VOTSOKGWSA-N

Smiles

S1C[C@@H]2NC(=O)N[C@@H]2[C@@H]1CCCCC(NCCCCCC(NCCSSCCC(NC\C=C\c1c(=O)[nH]c(=O)n(c1)[C@@H]1C[C@@H]([C@@H](O1)CO[P@@](=O)(O)O[P@@](OP(O)(=O)O)(=O)O)O)=O)=O)=O