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Substance Name: Siamycin I
RN: 164802-68-0
InChIKey: TXYRKTDGDMHVHR-NEKRQKPVSA-N

Notes

  • Inhibits calmodulin-activated myosin light chain kinase; isolated from Streptomyces sp. M-271.
  • Isolated from Streptomyces.

Molecular Formula

  • C97-H131-N23-O26-S4

Molecular Weight

  • 2163.5009
 
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Names and Synonyms

Results Name

  • Siamycin I

Name of Substance

  • FR 901724

Synonyms

  • BMY 29304
  • CLGVGSCNDFAGCGYAIVCFW
  • FR 901724
  • FR901724
  • MS 271
  • NP-06
  • Siamycin I

Systematic Name

  • CLGVGSCNDFAGCGYAIVCFW

Registry Numbers

CAS Registry Number

  • 164802-68-0

Other Registry Numbers

  • 164366-13-6
  • 165133-60-8

System Generated Number

  • 0164802680

Structure Descriptors

InChI

1S/C97H131N23O26S4/c1-11-50(8)80-96(144)119-79(49(6)7)95(143)117-71(93(141)112-63(32-54-22-16-13-17-23-54)87(135)115-66(97(145)146)34-56-37-99-59-25-19-18-24-58(56)59)46-150-149-45-70-92(140)113-64(35-72(98)123)88(136)114-65-36-73(124)108-69(91(139)110-60(30-47(2)3)83(131)101-41-77(128)118-78(48(4)5)94(142)103-40-75(126)107-67(42-121)90(138)116-70)44-148-147-43-68(109-76(127)38-100-81(129)51(9)104-86(134)62(111-89(65)137)31-53-20-14-12-15-21-53)84(132)102-39-74(125)106-61(33-55-26-28-57(122)29-27-55)85(133)105-52(10)82(130)120-80/h12-29,37,47-52,60-71,78-80,99,121-122H,11,30-36,38-46H2,1-10H3,(H2,98,123)(H,100,129)(H,101,131)(H,102,132)(H,103,142)(H,104,134)(H,105,133)(H,106,125)(H,107,126)(H,108,124)(H,109,127)(H,110,139)(H,111,137)(H,112,141)(H,113,140)(H,114,136)(H,115,135)(H,116,138)(H,117,143)(H,118,128)(H,119,144)(H,120,130)(H,145,146)/t50-,51-,52-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-/m0/s1

InChIKey

TXYRKTDGDMHVHR-NEKRQKPVSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]3CSSC[C@@H]4NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](Cc6c[nH]c7ccccc67)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC4=O)C(C)C)C(=O)N[C@@H](Cc8ccccc8)C(=O)N[C@@H](C)C(=O)NCC(=O)N3