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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N4O8S
Molecular Weight 502.497
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge -2

SHOW SMILES / InChI
Structure of N-nitroso-ertapenem

SMILES

C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@H]3C[C@H](N(C3)N=O)C(=O)NC4=CC=CC(=C4)C([O-])=O)=C(N2C1=O)C([O-])=O

InChI

InChIKey=QYFIDPNMUZEMDU-ANEDZVCMSA-L
InChI=1S/C22H24N4O8S/c1-9-16-15(10(2)27)20(29)26(16)17(22(32)33)18(9)35-13-7-14(25(8-13)24-34)19(28)23-12-5-3-4-11(6-12)21(30)31/h3-6,9-10,13-16,27H,7-8H2,1-2H3,(H,23,28)(H,30,31)(H,32,33)/p-2/t9-,10-,13+,14+,15-,16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-nitroso-ertapenem
Preferred Name English
Code System Code Type Description
FDA UNII
L33SCQ2ZZL
Created by admin on Wed Apr 02 18:20:04 GMT 2025 , Edited by admin on Wed Apr 02 18:20:04 GMT 2025
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