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Substance Name: Micropeptin 478B
RN: 186368-51-4
InChIKey: SBCCONGDAHGETE-HWXQPLKUSA-N

Note

  • Isolated from the Cyanobacterium Microcystis aeruginosa

Classification Code

  • Plasmin Inhibitors

Molecular Formula

  • C40-H62-Cl-N9-O18-S2

Molecular Weight

  • 1056.5598
 
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Names and Synonyms

Results Name

  • Micropeptin 478B

Synonym

  • Micropeptin 478B

Systematic Names

  • L-Isoleucine, N-((2S)-1-oxo-2,3-bis(sulfooxy)propyl)-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 478B

Registry Numbers

CAS Registry Number

  • 186368-51-4

System Generated Number

  • 0186368514

Structure Descriptors

InChI

1S/C40H62ClN9O18S2/c1-7-19(3)30-39(59)67-21(5)31(48-35(55)28(68-70(63,64)65)18-66-69(60,61)62)36(56)45-24(10-9-15-44-40(42)43)33(53)46-25-12-14-29(52)50(37(25)57)32(20(4)8-2)38(58)49(6)26(34(54)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-52H,7-10,12,14-15,17-18H2,1-6H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)(H,60,61,62)(H,63,64,65)/t19-,20-,21+,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1

InChIKey

SBCCONGDAHGETE-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](COS(=O)(=O)O)OS(=O)(=O)O)[C@@H](C)OC1=O)C3=O