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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27N3O8S
Molecular Weight 493.53
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERTAPENEM, (BETA-LACTAM RING-OPENED)-

SMILES

[H][C@]1(NC(C(O)=O)=C(S[C@@H]2CN[C@@H](C2)C(=O)NC3=CC=CC(=C3)C(O)=O)[C@@H]1C)[C@@H]([C@@H](C)O)C(O)=O

InChI

InChIKey=LMDXYCKWMWUYCV-ANEDZVCMSA-N
InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,23,25-26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27N3O8S
Molecular Weight 493.53
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:55:41 GMT 2023
Edited
by admin
on Sat Dec 16 14:55:41 GMT 2023
Record UNII
YP440V6LGX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERTAPENEM, (BETA-LACTAM RING-OPENED)-
Common Name English
ERTAPENEM METABOLITE M2
Common Name English
L-774183
Code English
1H-PYRROLE-2-ACETIC ACID, 5-CARBOXY-4-(((3S,5S)-5-(((3-CARBOXYPHENYL)AMINO)CARBONYL)-3-PYRROLIDINYL)THIO)-2,3-DIHYDRO-.ALPHA.-((1R)-1-HYDROXYETHYL)-3-METHYL-, (.ALPHA.S,2S,3R)-
Systematic Name English
Code System Code Type Description
FDA UNII
YP440V6LGX
Created by admin on Sat Dec 16 14:55:41 GMT 2023 , Edited by admin on Sat Dec 16 14:55:41 GMT 2023
PRIMARY
CAS
357154-27-9
Created by admin on Sat Dec 16 14:55:41 GMT 2023 , Edited by admin on Sat Dec 16 14:55:41 GMT 2023
PRIMARY
PUBCHEM
45105276
Created by admin on Sat Dec 16 14:55:41 GMT 2023 , Edited by admin on Sat Dec 16 14:55:41 GMT 2023
PRIMARY
Related Record Type Details
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