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Details

Stereochemistry ABSOLUTE
Molecular Formula C57H108N16O28S5
Molecular Weight 1625.883
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COLISTIN B HYDROGEN METHANESULFONATE

SMILES

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

InChI

InChIKey=DFSJNVZGJOIDRT-BJISPZADSA-N
InChI=1S/C57H108N16O28S5/c1-32(2)11-9-10-12-45(76)64-37(13-19-58-27-102(87,88)89)52(81)73-47(36(8)75)57(86)69-40(16-22-61-30-105(96,97)98)49(78)67-42-18-24-63-56(85)46(35(7)74)72-53(82)41(17-23-62-31-106(99,100)101)66-48(77)38(14-20-59-28-103(90,91)92)68-54(83)43(25-33(3)4)71-55(84)44(26-34(5)6)70-51(80)39(65-50(42)79)15-21-60-29-104(93,94)95/h32-44,46-47,58-62,74-75H,9-31H2,1-8H3,(H,63,85)(H,64,76)(H,65,79)(H,66,77)(H,67,78)(H,68,83)(H,69,86)(H,70,80)(H,71,84)(H,72,82)(H,73,81)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)/t35-,36-,37+,38+,39+,40+,41+,42+,43+,44-,46+,47+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
COLISTIN B HYDROGEN METHANESULFONATE
Common Name English
POLYMYXIN E2, METHANESULFONATE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
004U31C6CW
Created by admin on Fri Dec 15 16:30:35 GMT 2023 , Edited by admin on Fri Dec 15 16:30:35 GMT 2023
PRIMARY
PUBCHEM
46224598
Created by admin on Fri Dec 15 16:30:35 GMT 2023 , Edited by admin on Fri Dec 15 16:30:35 GMT 2023
PRIMARY