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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 B2

SMILES

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

InChI

InChIKey=SGPYLFWAQBAXCZ-RUDZPDEXSA-N
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

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

Patents

Patents

Substance Class Chemical
Created
by admin
on Wed Jul 05 23:19:00 UTC 2023
Edited
by admin
on Wed Jul 05 23:19:00 UTC 2023
Record UNII
99SJO09VH2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POLYMYXIN B2
MI  
Common Name English
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-L-THREONINE (10->4)-LACTAM
Systematic Name English
POLYMYXIN B1, 1-((2S)-4-AMINO-2-((6-METHYL-1-OXOHEPTYL)AMINO)BUTANOIC ACID)-
Common Name English
POLYMYXIN B2 [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C78160
Created by admin on Wed Jul 05 23:19:00 UTC 2023 , Edited by admin on Wed Jul 05 23:19:00 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C61898
Created by admin on Wed Jul 05 23:19:00 UTC 2023 , Edited by admin on Wed Jul 05 23:19:00 UTC 2023
PRIMARY
MESH
C571510
Created by admin on Wed Jul 05 23:19:00 UTC 2023 , Edited by admin on Wed Jul 05 23:19:00 UTC 2023
PRIMARY
CAS
34503-87-2
Created by admin on Wed Jul 05 23:19:00 UTC 2023 , Edited by admin on Wed Jul 05 23:19:00 UTC 2023
PRIMARY
FDA UNII
99SJO09VH2
Created by admin on Wed Jul 05 23:19:00 UTC 2023 , Edited by admin on Wed Jul 05 23:19:00 UTC 2023
PRIMARY
MERCK INDEX
M8963
Created by admin on Wed Jul 05 23:19:00 UTC 2023 , Edited by admin on Wed Jul 05 23:19:00 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID20858929
Created by admin on Wed Jul 05 23:19:00 UTC 2023 , Edited by admin on Wed Jul 05 23:19:00 UTC 2023
PRIMARY
PUBCHEM
11982455
Created by admin on Wed Jul 05 23:19:00 UTC 2023 , Edited by admin on Wed Jul 05 23:19:00 UTC 2023
PRIMARY
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