Ertapenem Dimer-IX

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 Search

SMILES

C[C@@H](O)[C@H]([C@@H]1NC(C(=O)N2C[C@H](C[C@H]2C(=O)NC3=CC=CC(=C3)C(O)=O)SC4=C(N5[C@@H]([C@@H]([C@@H](C)O)C5=O)[C@H]4C)C(O)=O)=C(S[C@@H]6CN[C@@H](C6)C(=O)NC7=CC=CC(=C7)C(O)=O)[C@@H]1C)C(O)=O

InChI

InChIKey=PSSCTHFPVRPULU-ZVUXQWQQSA-N

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

Ertapenem Dimer-IX

Common Name

English

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

Preferred Name

English

Code System Code Type Description

FDA UNII

9L5TB62V5B

Created by admin on Wed Apr 02 17:59:24 GMT 2025 , Edited by admin on Wed Apr 02 17:59:24 GMT 2025

PRIMARY

PUBCHEM

101722800

Created by admin on Wed Apr 02 17:59:24 GMT 2025 , Edited by admin on Wed Apr 02 17:59:24 GMT 2025

PRIMARY

CAS

2602483-57-6

Created by admin on Wed Apr 02 17:59:24 GMT 2025 , Edited by admin on Wed Apr 02 17:59:24 GMT 2025

PRIMARY

SUBSTANCE RECORD


					9L5TB62V5B

Ertapenem Dimer-IX