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Substance Name: Promothiocin B
RN: 156737-06-3
UNII: 2I3243T16W
InChIKey: GQPGNOKIVRVCQB-JVAKCPTJSA-N

Molecular Formula

  • C42-H43-N13-O10-S2

Molecular Weight

  • 954.0147
 
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Names and Synonyms

Name of Substance

  • Promothiocin B

Synonyms

  • Promothiocin B
  • SF-2741B
  • UNII-2I3243T16W

Registry Numbers

CAS Registry Number

  • 156737-06-3

FDA UNII

  • 2I3243T16W

System Generated Number

  • 0156737063

Structure Descriptors

InChI

1S/C42H43N13O10S2/c1-15(2)28-38(62)44-12-27-53-30(22(9)64-27)39(63)49-20(7)41-51-25(13-66-41)36(60)48-19(6)40-55-29(21(8)65-40)31-23(42-52-26(14-67-42)37(61)54-28)10-11-24(50-31)35(59)47-18(5)34(58)46-17(4)33(57)45-16(3)32(43)56/h10-11,13-15,19-20,28H,3-5,12H2,1-2,6-9H3,(H2,43,56)(H,44,62)(H,45,57)(H,46,58)(H,47,59)(H,48,60)(H,49,63)(H,54,61)/t19-,20-,28-/m0/s1

InChIKey

GQPGNOKIVRVCQB-JVAKCPTJSA-N

Smiles

Cc1c-2nc(o1)[C@@H](NC(=O)c3csc(n3)[C@@H](NC(=O)c4c(oc(n4)CNC(=O)[C@@H](NC(=O)c5csc(n5)-c6c2nc(cc6)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(C)C)C)C)C