Butanoyl Fatty Acyl Polymyxin B
FEATURES
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NAMES
  • Butanoyl Fatty Acyl Polymyxin B
SMILES
CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
InChI
InChI=1S/C51H88N16O13/c1-6-10-39(70)58-31(13-19-52)46(75)67-41(29(5)69)51(80)63-34(16-22-55)43(72)62-36-18-24-57-50(79)40(28(4)68)66-47(76)35(17-23-56)60-42(71)32(14-20-53)61-48(77)37(25-27(2)3)64-49(78)38(26-30-11-8-7-9-12-30)65-44(73)33(15-21-54)59-45(36)74/h7-9,11-12,27-29,31-38,40-41,68-69H,6,10,13-26,52-56H2,1-5H3,(H,57,79)(H,58,70)(H,59,74)(H,60,71)(H,61,77)(H,62,72)(H,63,80)(H,64,78)(H,65,73)(H,66,76)(H,67,75)/t28-,29-,31+,32+,33+,34+,35+,36+,37+,38-,40-,41-/m1/s1
MOLECULAR FORMULA
C51H88N16O13
CROSS REFERENCES
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Butanoyl Fatty Acyl Polymyxin B
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight1132.67
AlogP-7.05
HBond donors23
HBond acceptors29
Atoms168
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Butanoyl Fatty Acyl Polymyxin B.