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Substance Name: Polymyxin D2
RN: 34167-45-8
UNII: 921VYT3034
InChIKey: AMOWTOQDROFIIR-ALESKEBOSA-N

Molecular Formula

  • C49-H91-N15-O15

Molecular Weight

  • 1130.3479
 
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Names and Synonyms

Name of Substance

  • Polymyxin D2

Synonyms

  • L-Threonine, (2S)-4-amino-2-((6-methyl-1-oxoheptyl)amino)butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-, (10->4)-lactam
  • Polymyxin D2
  • Polymyxin D2 [MI]
  • UNII-921VYT3034

Registry Numbers

CAS Registry Number

  • 34167-45-8

FDA UNII

  • 921VYT3034

System Generated Number

  • 0034167458

Structure Descriptors

InChI

1S/C49H91N15O15/c1-24(2)10-8-9-11-36(69)55-29(12-17-50)43(73)63-39(28(7)68)49(79)61-35(23-65)46(76)58-33-16-21-54-47(77)37(26(5)66)62-44(74)32(15-20-53)57-40(70)31(14-19-52)59-48(78)38(27(6)67)64-45(75)34(22-25(3)4)60-41(71)30(13-18-51)56-42(33)72/h24-35,37-39,65-68H,8-23,50-53H2,1-7H3,(H,54,77)(H,55,69)(H,56,72)(H,57,70)(H,58,76)(H,59,78)(H,60,71)(H,61,79)(H,62,74)(H,63,73)(H,64,75)/t26-,27-,28-,29+,30+,31+,32+,33+,34-,35-,37+,38+,39+/m1/s1

InChIKey

AMOWTOQDROFIIR-ALESKEBOSA-N

Smiles

C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)[C@@H](C)O)CC(C)C)CCN)NC(=O)[C@@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O