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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H109N17O29S5
Molecular Weight 1668.908
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-colistin a hydrogen methanesulfonate-2

SMILES

CC[C@H](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](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](CCN(CS(O)(=O)=O)N=O)NC1=O)[C@@H](C)O

InChI

InChIKey=FVVUESKVVSHHHK-LOFSPICBSA-N
InChI=1S/C58H109N17O29S5/c1-9-35(6)12-10-11-13-46(78)64-38(14-20-59-28-105(90,91)92)53(83)73-48(37(8)77)58(88)69-40(16-22-61-30-107(96,97)98)50(80)66-42-18-24-63-57(87)47(36(7)76)72-54(84)41(17-23-62-31-108(99,100)101)65-49(79)39(15-21-60-29-106(93,94)95)67-55(85)44(26-33(2)3)71-56(86)45(27-34(4)5)70-52(82)43(68-51(42)81)19-25-75(74-89)32-109(102,103)104/h33-45,47-48,59-62,76-77H,9-32H2,1-8H3,(H,63,87)(H,64,78)(H,65,79)(H,66,80)(H,67,85)(H,68,81)(H,69,88)(H,70,82)(H,71,86)(H,72,84)(H,73,83)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)/t35-,36+,37+,38-,39-,40-,41-,42-,43-,44-,45+,47-,48-/m0/s1

HIDE SMILES / InChI

Molecular Formula C58H109N17O29S5
Molecular Weight 1668.908
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:53:24 GMT 2025
Edited
by admin
on Wed Apr 02 18:53:24 GMT 2025
Record UNII
WD7D4Z4M5R
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-colistin a hydrogen methanesulfonate-2
Preferred Name English
Code System Code Type Description
FDA UNII
WD7D4Z4M5R
Created by admin on Wed Apr 02 18:53:24 GMT 2025 , Edited by admin on Wed Apr 02 18:53:24 GMT 2025
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