Ertapenem Dimer Amide Impurity

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 Dimer Amide Impurity

Structure Search

SMILES

C[C@@H](O)[C@H]([C@H]1[C@@H](C)C(S[C@@H]2CN[C@@H](C2)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)C4=CC(NC(=O)[C@@H]5C[C@@H](CN5)SC6=C(N7[C@@H]([C@@H]([C@@H](C)O)C7=O)[C@H]6C)C(O)=O)=CC=C4)C(O)=O)C(O)=O

InChI

InChIKey=ATXZKQUYOZAYTG-BNCIILEKSA-N

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

HIDE SMILES / InChI

Molecular Formula	C44H50N6O14S2
Molecular Weight	951.03
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 17:39:29 GMT 2025` Edited by `admin` on `Wed Apr 02 17:39:29 GMT 2025`
Record UNII	WP2Z7AZS3X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ertapenem Dimer Amide Impurity

Common Name

English

(4R,5S,6S)-3-[[(3S,5S)-5-[[[3-[[(2S,3R)-5-Carboxy-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-2,3-dihydro-3-methyl-1H-pyrrol-1-yl]carbonyl]phenyl]amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)

Preferred Name

English

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[[3-[[(2S,3R)-5-carboxy-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-2,3-dihydro-3-methyl-1H-pyrrol-1-yl]carbonyl]phenyl]amino]

Systematic Name

English

Code System Code Type Description

CAS

1199797-42-6

Created by admin on Wed Apr 02 17:39:29 GMT 2025 , Edited by admin on Wed Apr 02 17:39:29 GMT 2025

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FDA UNII

WP2Z7AZS3X

Created by admin on Wed Apr 02 17:39:29 GMT 2025 , Edited by admin on Wed Apr 02 17:39:29 GMT 2025

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PUBCHEM

88927285

Created by admin on Wed Apr 02 17:39:29 GMT 2025 , Edited by admin on Wed Apr 02 17:39:29 GMT 2025

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