U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H34N6O8S
Molecular Weight 650.702
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,5R,6R)-6-((2R)-2-((2R)-2-(4-ETHYL-2,3-DIOXOPIPERAZINE-1-CARBOXAMIDO)-2-PHENYLACETAMIDO)-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

SMILES

CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1=O

InChI

InChIKey=GOVBHYBWIJUSIH-PGWCQGBFSA-N
InChI=1S/C31H34N6O8S/c1-4-35-15-16-36(27(42)26(35)41)30(45)34-20(18-13-9-6-10-14-18)24(39)32-19(17-11-7-5-8-12-17)23(38)33-21-25(40)37-22(29(43)44)31(2,3)46-28(21)37/h5-14,19-22,28H,4,15-16H2,1-3H3,(H,32,39)(H,33,38)(H,34,45)(H,43,44)/t19-,20-,21-,22+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H34N6O8S
Molecular Weight 650.702
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:24:56 GMT 2025
Edited
by admin
on Tue Apr 01 16:24:56 GMT 2025
Record UNII
F28CS9F7AY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIPERACILLIN SODIUM IMPURITY P [EP IMPURITY]
Preferred Name English
(2S,5R,6R)-6-((2R)-2-((2R)-2-(4-ETHYL-2,3-DIOXOPIPERAZINE-1-CARBOXAMIDO)-2-PHENYLACETAMIDO)-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
139025527
Created by admin on Tue Apr 01 16:24:56 GMT 2025 , Edited by admin on Tue Apr 01 16:24:56 GMT 2025
PRIMARY
FDA UNII
F28CS9F7AY
Created by admin on Tue Apr 01 16:24:56 GMT 2025 , Edited by admin on Tue Apr 01 16:24:56 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP