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Substance Name: Polymyxin B2
RN: 34503-87-2
UNII: 99SJO09VH2
InChIKey: SGPYLFWAQBAXCZ-RUDZPDEXSA-N

Molecular Formula

  • C55-H96-N16-O13

Molecular Weight

  • 1189.4624
 
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Names and Synonyms

Name of Substance

  • Polymyxin B2

Synonyms

  • L-Threonine, N2-(6-methyl-1-oxoheptyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-phenylalanyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-, cyclic (10-4)-peptide
  • UNII-99SJO09VH2

Systematic Name

  • Polymyxin B2

Registry Numbers

CAS Registry Number

  • 34503-87-2

FDA UNII

  • 99SJO09VH2

Other Registry Number

  • 11027-34-2

System Generated Number

  • 0034503872

Structure Descriptors

InChI

1S/C55H96N16O13/c1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78/h7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79)/t32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1

InChIKey

SGPYLFWAQBAXCZ-RUDZPDEXSA-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)CC(C)C)Cc2ccccc2)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O