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Details

Stereochemistry RACEMIC
Molecular Formula C14H17NO5S
Molecular Weight 311.353
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(1-PHENYL-2-CARBOXYETHYL)CYSTEINE

SMILES

CC(=O)NC(CSC(CC(O)=O)C1=CC=CC=C1)C(O)=O

InChI

InChIKey=LTPURIOKVISJDF-UHFFFAOYSA-N
InChI=1S/C14H17NO5S/c1-9(16)15-11(14(19)20)8-21-12(7-13(17)18)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C14H17NO5S
Molecular Weight 311.353
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
AEL35B7QE3
Record Status Validated (UNII)
Record Version