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Substance Name: Triostin A
RN: 13758-27-5
InChIKey: GULVULFEAVZHHC-SZZROTLHSA-N

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents

Molecular Formula

  • C50-H62-N12-O12-S2

Molecular Weight

  • 1087.24
 
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Names and Synonyms

Name of Substance

  • Triostin A

Synonyms

  • NSC 244425
  • Triostin A

Systematic Name

  • Triostin A

Registry Numbers

CAS Registry Number

  • 13758-27-5

System Generated Number

  • 0013758275

Structure Descriptors

InChI

1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37+,38+,39-,40-/m0/s1

InChIKey

GULVULFEAVZHHC-SZZROTLHSA-N

Smiles

c12c(ncc(n1)C(N[C@H]1C(N[C@H](C(N([C@H]3C(N([C@H](C(OC[C@@H](NC(c4nc5c(cccc5)nc4)=O)C(N[C@H](C(N([C@@H](C(N([C@H](C(OC1)=O)C(C)C)C)=O)CSSC3)C)=O)C)=O)=O)C(C)C)C)=O)C)=O)C)=O)=O)cccc2