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Substance Name: Stevastelin B3
RN: 147334-90-5
InChIKey: HIRFPWCSYAMYPE-RYUAEMIRSA-N

Note

  • A depsipeptide from Penicillium.

Molecular Formula

  • C34-H61-N3-O9

Molecular Weight

  • 655.868
 
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Names and Synonyms

Name of Substance

  • Stevastelin B3

Synonyms

  • Antibiotic NK 374186B3
  • NK 374186B3
  • Stevastelin B 3

Systematic Names

  • L-Serine, N-((2R,3R,4S,5R)-3,5-dihydroxy-2,4-dimethyl-1-oxooctadecyl)-L-valyl-L-threonyl-, (3-13)-lactone, 3-acetate
  • L-Serine, N-(N-(N-(3,5-dihydroxy-2,4-dimethyl-1-oxooctadecyl)-L-valyl)-L-threonyl)-, lambda-lactone, 3-acetate, (2R-(2R*,3R*,4S*,5R*))-

Registry Numbers

CAS Registry Number

  • 147334-90-5

System Generated Number

  • 0147334905

Structure Descriptors

InChI

1S/C34H61N3O9/c1-8-10-11-12-13-14-15-16-17-18-19-20-26(40)22(3)28(41)23(4)30(42)37-29(34(6,7)9-2)32(44)36-27(24(5)39)31(43)35-25(21-38)33(45)46/h9,21-29,39-41H,2,8,10-20H2,1,3-7H3,(H,35,43)(H,36,44)(H,37,42)(H,45,46)/t22-,23+,24+,25-,26+,27-,28+,29+/m0/s1

InChIKey

HIRFPWCSYAMYPE-RYUAEMIRSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H]([C@@H]([C@H]([C@@H](CCCCCCCCCCCCC)O)C)O)C)=O)C(C)(C)C=C)=O)[C@@H](C)O)=O)C=O)(=O)O