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Substance Name: Micropeptin 478A
RN: 186368-49-0
InChIKey: XQAUOXBHKXOGBQ-HWXQPLKUSA-N

Note

  • Isolated from the Cyanobacterium Microcystis aeruginosa

Classification Code

  • Plasmin Inhibitors

Molecular Formula

  • C40-H62-Cl-N9-O15-S

Molecular Weight

  • 976.4968
 
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Names and Synonyms

Results Name

  • Micropeptin 478A

Systematic Names

  • L-Isoleucine, (2S)-2-hydroxy-3-(sulfooxy)propanoyl-L-threonyl-L-arginyl-(alphaS,3S,6R)-3-amino-6-hydroxy-alpha-((1S)-1-methylpropyl)-2-oxo-1- piperidineacetyl-3-chloro-N-methyl-L-tyrosyl-, (6-2)-lactone
  • Micropeptin 478A

Registry Numbers

CAS Registry Number

  • 186368-49-0

System Generated Number

  • 0186368490

Structure Descriptors

InChI

1S/C40H62ClN9O15S/c1-7-19(3)30-39(60)65-21(5)31(48-35(56)28(52)18-64-66(61,62)63)36(57)45-24(10-9-15-44-40(42)43)33(54)46-25-12-14-29(53)50(37(25)58)32(20(4)8-2)38(59)49(6)26(34(55)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-53H,7-10,12,14-15,17-18H2,1-6H3,(H,45,57)(H,46,54)(H,47,55)(H,48,56)(H4,42,43,44)(H,61,62,63)/t19-,20-,21+,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1

InChIKey

XQAUOXBHKXOGBQ-HWXQPLKUSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N3[C@H](O)CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O)C3=O