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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H50N6O14S2
Molecular Weight 951.03
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ertapenem sodium dimer VIII

SMILES

C[C@@H](O)[C@H]([C@@H]1NC(C(O)=O)=C(S[C@@H]2CN[C@@H](C2)C(=O)NC3=CC(=CC=C3)C(=O)N4C[C@H](C[C@H]4C(=O)NC5=CC=CC(=C5)C(O)=O)SC6=C(N7[C@@H]([C@@H]([C@@H](C)O)C7=O)[C@H]6C)C(O)=O)[C@@H]1C)C(O)=O

InChI

InChIKey=LXFXKMHIFALQMI-ZVUXQWQQSA-N
InChI=1S/C44H50N6O14S2/c1-17-31(29(19(3)51)42(59)60)48-32(43(61)62)35(17)65-25-13-27(45-15-25)37(53)46-23-9-5-7-21(11-23)39(55)49-16-26(14-28(49)38(54)47-24-10-6-8-22(12-24)41(57)58)66-36-18(2)33-30(20(4)52)40(56)50(33)34(36)44(63)64/h5-12,17-20,25-31,33,45,48,51-52H,13-16H2,1-4H3,(H,46,53)(H,47,54)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/t17-,18-,19-,20-,25+,26+,27+,28+,29-,30-,31-,33-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(4R,5S,6S)-3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S)-2-Carboxy-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4,5-dihydro-4-methyl-1H-pyrrol-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydrox
Preferred Name English
Ertapenem sodium dimer VIII
Common Name English
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S)-2-carboxy-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4,5-dihydro-4-methyl-1H-pyrrol-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]
Systematic Name English
Code System Code Type Description
PUBCHEM
169490891
Created by admin on Wed Apr 02 18:42:48 GMT 2025 , Edited by admin on Wed Apr 02 18:42:48 GMT 2025
PRIMARY
CAS
2602483-58-7
Created by admin on Wed Apr 02 18:42:48 GMT 2025 , Edited by admin on Wed Apr 02 18:42:48 GMT 2025
PRIMARY
FDA UNII
5DLD9D8NGD
Created by admin on Wed Apr 02 18:42:48 GMT 2025 , Edited by admin on Wed Apr 02 18:42:48 GMT 2025
PRIMARY