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Details

Stereochemistry EPIMERIC
Molecular Formula C16H20N2O5S
Molecular Weight 352.405
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [BENZYLPENICILLOIC ACID]

SMILES

CC1(C)SC(N[C@H]1C(O)=O)[C@H](NC(=O)CC2=CC=CC=C2)C(O)=O

InChI

InChIKey=HCYWNSXLUZRKJX-VYAYZGMFSA-N
InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13?/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20N2O5S
Molecular Weight 352.405
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:31:02 GMT 2023
Edited
by admin
on Sat Dec 16 19:31:02 GMT 2023
Record UNII
NKZ5D4610Z
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition