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Details

Stereochemistry MIXED
Molecular Formula C32H38N4O5S
Molecular Weight 590.733
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4S)-2-(2-(benzyl(2-(benzylamino)ethyl)amino)-2-oxo-1-(2-phenoxyacetamido)ethyl)-5,5-dimethylthiazolidine-4-carboxylic acid

SMILES

CC1(C)SC(N[C@H]1C(O)=O)C(NC(=O)COC2=CC=CC=C2)C(=O)N(CCNCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChIKey=SZWFVLFDZXACEY-VJPAEBCTSA-N
InChI=1S/C32H38N4O5S/c1-32(2)28(31(39)40)35-29(42-32)27(34-26(37)22-41-25-16-10-5-11-17-25)30(38)36(21-24-14-8-4-9-15-24)19-18-33-20-23-12-6-3-7-13-23/h3-17,27-29,33,35H,18-22H2,1-2H3,(H,34,37)(H,39,40)/t27?,28-,29?/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H38N4O5S
Molecular Weight 590.733
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:46:22 GMT 2023
Edited
by admin
on Sat Dec 16 19:46:22 GMT 2023
Record UNII
H645L2V94R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4S)-2-(2-(benzyl(2-(benzylamino)ethyl)amino)-2-oxo-1-(2-phenoxyacetamido)ethyl)-5,5-dimethylthiazolidine-4-carboxylic acid
Systematic Name English
PHENOXYMETHYLPENICILLIN (BENZATHINE) TETRAHYDRAT IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
H645L2V94R
Created by admin on Sat Dec 16 19:46:22 GMT 2023 , Edited by admin on Sat Dec 16 19:46:22 GMT 2023
PRIMARY
PUBCHEM
167713278
Created by admin on Sat Dec 16 19:46:22 GMT 2023 , Edited by admin on Sat Dec 16 19:46:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PHENOXYMETHYLPENICILLIN (BENZATHINE) TETRAHYDRAT IN EP HAS THE SAME STRUCTURE AS FOR PENICILLIN V BENZATHINE TETRAHYDRATE