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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15NO6
Molecular Weight 269.2506
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-DIHYDROXYHOMOTYROSINE, (S,S,S)-

SMILES

CC(=O)N[C@@H]([C@H](O)[C@@H](O)C1=CC=C(O)C=C1)C(O)=O

InChI

InChIKey=ZSOVNUWOODMJGY-DCAQKATOSA-N
InChI=1S/C12H15NO6/c1-6(14)13-9(12(18)19)11(17)10(16)7-2-4-8(15)5-3-7/h2-5,9-11,15-17H,1H3,(H,13,14)(H,18,19)/t9-,10-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H15NO6
Molecular Weight 269.2506
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
G576T715CG
Record Status Validated (UNII)
Record Version