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Substance Name: Pretubulysin
RN: 1174764-12-5
UNII: Q67GVO8JTM
InChIKey: IUQKJKPHUBJDJV-UMNBWOBWSA-N

Note

  • From myxobacteria.

Molecular Formula

  • C36-H55-N5-O5-S

Molecular Weight

  • 669.9265
 
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Names and Synonyms

Name of Substance

  • Pretubulysin

Synonyms

  • Benzenepentanoic acid, alpha-methyl-gamma-(((2-((3R)-4-methyl-3-(methyl((2S,3S)-3-methyl-2-((((2R)-1-methyl-2-piperidinyl)carbonyl)amino)-1-oxopentyl)amino)pentyl)-4-thiazolyl)carbonyl)amino)-, (alphaS,gammaR)-
  • Pretubulysin
  • Pretubulysin D
  • Pretubulysin-827
  • UNII-Q67GVO8JTM

Registry Numbers

CAS Registry Number

  • 1174764-12-5

FDA UNII

  • Q67GVO8JTM

System Generated Number

  • 1174764125

Structure Descriptors

InChI

1S/C36H55N5O5S/c1-8-24(4)32(39-34(43)30-16-12-13-19-40(30)6)35(44)41(7)29(23(2)3)17-18-31-38-28(22-47-31)33(42)37-27(20-25(5)36(45)46)21-26-14-10-9-11-15-26/h9-11,14-15,22-25,27,29-30,32H,8,12-13,16-21H2,1-7H3,(H,37,42)(H,39,43)(H,45,46)/t24-,25-,27+,29+,30+,32-/m0/s1

InChIKey

IUQKJKPHUBJDJV-UMNBWOBWSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N(C)[C@H](CCc1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)C(C)C)NC(=O)[C@H]3CCCCN3C