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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29N3O9S2
Molecular Weight 543.61
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIVALOYLOXYMETHYL 6-(D-.ALPHA.-SULFOAMINOPHENYLACETAMIDO)PENICILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NS(O)(=O)=O)C3=CC=CC=C3)C(=O)OCOC(=O)C(C)(C)C

InChI

InChIKey=AJRBZBZESPBPAQ-ZXFNITATSA-N
InChI=1S/C22H29N3O9S2/c1-21(2,3)20(29)34-11-33-19(28)15-22(4,5)35-18-14(17(27)25(15)18)23-16(26)13(24-36(30,31)32)12-9-7-6-8-10-12/h6-10,13-15,18,24H,11H2,1-5H3,(H,23,26)(H,30,31,32)/t13-,14-,15+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H29N3O9S2
Molecular Weight 543.61
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:49:05 GMT 2023
Edited
by admin
on Sat Dec 16 14:49:05 GMT 2023
Record UNII
C64M698CMT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIVALOYLOXYMETHYL 6-(D-.ALPHA.-SULFOAMINOPHENYLACETAMIDO)PENICILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(((2R)-2-PHENYL-2-(SULFOAMINO)ACETYL)AMINO)-, 2-((2,2-DIMETHYL-1-OXOPROPOXY)METHYL) ESTER, (2S,5R,6R)-
Systematic Name English
PIVALOYLOXYMETHYL 6-(.ALPHA.R-SULFOAMINOPHENYLACETAMIDO)PENICILLIN
Common Name English
2-((2,2-DIMETHYL-1-OXOPROPOXY)METHYL) (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(((2R)-2-PHENYL-2-(SULFOAMINO)ACETYL)AMINO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE
Systematic Name English
((1R)-2-(((2S,5R,6R)-2-(2,2-DIMETHYLPROPANOYLOXYMETHOXYCARBONYL)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTAN-6-YL)AMINO)-2-OXO-1-PHENYLETHYL)SULFAMIC ACID
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENYL(SULFOAMINO)ACETYL)AMINO)-, 2-((2,2-DIMETHYL-1-OXOPROPOXY)METHYL) ESTER, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
Systematic Name English
Code System Code Type Description
FDA UNII
C64M698CMT
Created by admin on Sat Dec 16 14:49:05 GMT 2023 , Edited by admin on Sat Dec 16 14:49:05 GMT 2023
PRIMARY
PUBCHEM
133082394
Created by admin on Sat Dec 16 14:49:05 GMT 2023 , Edited by admin on Sat Dec 16 14:49:05 GMT 2023
PRIMARY
CAS
778514-27-5
Created by admin on Sat Dec 16 14:49:05 GMT 2023 , Edited by admin on Sat Dec 16 14:49:05 GMT 2023
PRIMARY