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Details

Stereochemistry ABSOLUTE
Molecular Formula C55H96N16O13
Molecular Weight 1189.4501
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POLYMYXIN B3

SMILES

[H][C@@]1(CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC(=O)[C@]([H])(CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCCCC)[C@@H](C)O

InChI

InChIKey=MUZYEKLWXWDOOD-RUDZPDEXSA-N
InChI=1S/C55H96N16O13/c1-6-7-8-9-13-16-43(74)62-35(17-23-56)50(79)71-45(33(5)73)55(84)67-38(20-26-59)47(76)66-40-22-28-61-54(83)44(32(4)72)70-51(80)39(21-27-60)64-46(75)36(18-24-57)65-52(81)41(29-31(2)3)68-53(82)42(30-34-14-11-10-12-15-34)69-48(77)37(19-25-58)63-49(40)78/h10-12,14-15,31-33,35-42,44-45,72-73H,6-9,13,16-30,56-60H2,1-5H3,(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

HIDE SMILES / InChI

Molecular Formula C55H96N16O13
Molecular Weight 1189.4501
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:40:02 UTC 2023
Edited
by admin
on Thu Jul 06 19:40:02 UTC 2023
Record UNII
L194HGU2LD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POLYMYXIN B3
Common Name English
DPMB3
Common Name English
POLYMYXIN B1, 1-((2S)-4-AMINO-2-((1-OXOOCTYL)AMINO)BUTANOIC ACID)-
Systematic Name English
1-((2S)-4-AMINO-2-((1-OXOOCTYL)AMINO)BUTANOIC ACID)POLYMYXIN B1
Systematic Name English
POLYMYXIN B1, 1-(N2-(1-OXOOCTYL)-L-2,4-DIAMINOBUTANOIC ACID)-
Systematic Name English
Code System Code Type Description
CAS
71140-58-4
Created by admin on Thu Jul 06 19:40:02 UTC 2023 , Edited by admin on Thu Jul 06 19:40:02 UTC 2023
PRIMARY
PUBCHEM
46883542
Created by admin on Thu Jul 06 19:40:02 UTC 2023 , Edited by admin on Thu Jul 06 19:40:02 UTC 2023
PRIMARY
FDA UNII
L194HGU2LD
Created by admin on Thu Jul 06 19:40:02 UTC 2023 , Edited by admin on Thu Jul 06 19:40:02 UTC 2023
PRIMARY