U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C52H64N10O11S
Molecular Weight 1037.19
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-quinupristin

SMILES

CC[C@H]1NC(=O)[C@@H](NC(=O)C2=C(O)C=CC=N2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)[C@H](CS[C@@H]4CN5CCC4CC5)CN3C(=O)[C@H](CC6=CC=C(C=C6)N(C)N=O)N(C)C(=O)[C@@H]7CCCN7C1=O)C8=CC=CC=C8

InChI

InChIKey=XSPYWDYKDSUXJB-CUXUCSEWSA-N
InChI=1S/C52H64N10O11S/c1-5-36-49(68)61-22-10-13-37(61)50(69)58(3)39(25-31-15-17-35(18-16-31)59(4)57-72)51(70)62-27-34(29-74-42-28-60-23-19-32(42)20-24-60)41(64)26-38(62)46(65)56-44(33-11-7-6-8-12-33)52(71)73-30(2)43(47(66)54-36)55-48(67)45-40(63)14-9-21-53-45/h6-9,11-12,14-18,21,30,32,34,36-39,42-44,63H,5,10,13,19-20,22-29H2,1-4H3,(H,54,66)(H,55,67)(H,56,65)/t30-,34+,36-,37+,38+,39+,42-,43+,44+/m1/s1

HIDE SMILES / InChI

Molecular Formula C52H64N10O11S
Molecular Weight 1037.19
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:34:07 GMT 2025
Edited
by admin
on Wed Apr 02 18:34:07 GMT 2025
Record UNII
UZ58N8HW9N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-desmethyl-quinupristin
Preferred Name English
Code System Code Type Description
PUBCHEM
171390090
Created by admin on Wed Apr 02 18:34:07 GMT 2025 , Edited by admin on Wed Apr 02 18:34:07 GMT 2025
PRIMARY
FDA UNII
UZ58N8HW9N
Created by admin on Wed Apr 02 18:34:07 GMT 2025 , Edited by admin on Wed Apr 02 18:34:07 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY