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Substance Name: 3-(O-5''-(3''-azido-3''-deoxythymidine)2'-glutaryloxyheptylthio)rifamycin S
RN: 191152-98-4
InChIKey: NNPSNOJIDKJPMC-KFTNCQFPSA-N

Molecular Formula

  • C59-H76-N6-O19-S

Molecular Weight

  • 1205.3384
 
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Names and Synonyms

  • 3-(O-5''-(3''-azido-3''-deoxythymidine)2'-glutaryloxyheptylthio)rifamycin S

Registry Numbers

CAS Registry Number

  • 191152-98-4

System Generated Number

  • 0191152984

Structure Descriptors

InChI

1S/C59H76N6O19S/c1-29-18-16-19-30(2)56(75)61-46-50(72)44-43(45-53(35(7)49(44)71)84-59(9,55(45)74)81-24-22-38(78-10)32(4)52(82-36(8)66)34(6)48(70)33(5)47(29)69)51(73)54(46)85-25-15-13-11-12-14-23-79-41(67)20-17-21-42(68)80-28-39-37(63-64-60)26-40(83-39)65-27-31(3)57(76)62-58(65)77/h16,18-19,22,24,27,29,32-34,37-40,47-48,52,69-71H,11-15,17,20-21,23,25-26,28H2,1-10H3,(H,61,75)(H,62,76,77)/b18-16+,24-22+,30-19-/t29-,32+,33+,34+,37-,38-,39+,40+,47-,48+,52+,59-/m0/s1

InChIKey

NNPSNOJIDKJPMC-KFTNCQFPSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCCC(=O)OCCCCCCCSC3=C4C(=O)c5c(c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)C3=O)N=[N+]=[N-]