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Details

Stereochemistry ABSOLUTE
Molecular Formula C57H107N17O29S5
Molecular Weight 1654.881
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-colistin b hydrogen methanesulfonate-4

SMILES

CC(C)CCCCC(=O)N[C@@H](CCNCS(O)(=O)=O)C(=O)N[C@@H]([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](CCN(CS(O)(=O)=O)N=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=YHQNJIHEJLNYME-BJISPZADSA-N
InChI=1S/C57H107N17O29S5/c1-32(2)11-9-10-12-45(77)63-37(13-19-58-27-104(89,90)91)52(82)72-47(36(8)76)57(87)68-40(16-22-61-30-107(98,99)100)49(79)65-41-17-23-62-56(86)46(35(7)75)71-53(83)42(18-24-74(73-88)31-108(101,102)103)67-48(78)38(14-20-59-28-105(92,93)94)66-54(84)43(25-33(3)4)70-55(85)44(26-34(5)6)69-51(81)39(64-50(41)80)15-21-60-29-106(95,96)97/h32-44,46-47,58-61,75-76H,9-31H2,1-8H3,(H,62,86)(H,63,77)(H,64,80)(H,65,79)(H,66,84)(H,67,78)(H,68,87)(H,69,81)(H,70,85)(H,71,83)(H,72,82)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)/t35-,36-,37+,38+,39+,40+,41+,42+,43+,44-,46+,47+/m1/s1

HIDE SMILES / InChI

Molecular Formula C57H107N17O29S5
Molecular Weight 1654.881
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:29:38 GMT 2025
Edited
by admin
on Wed Apr 02 18:29:38 GMT 2025
Record UNII
348KAL77MU
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-colistin b hydrogen methanesulfonate-4
Preferred Name English
Code System Code Type Description
FDA UNII
348KAL77MU
Created by admin on Wed Apr 02 18:29:38 GMT 2025 , Edited by admin on Wed Apr 02 18:29:38 GMT 2025
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