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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13NO5
Molecular Weight 251.2353
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(E)-CAFFEOYL-L-ALANINE

SMILES

C[C@H](NC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O

InChI

InChIKey=HTRLGQVZCDCTDC-MZTFZBDOSA-N
InChI=1S/C12H13NO5/c1-7(12(17)18)13-11(16)5-3-8-2-4-9(14)10(15)6-8/h2-7,14-15H,1H3,(H,13,16)(H,17,18)/b5-3+/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H13NO5
Molecular Weight 251.2353
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1DRC6F41AH
Record Status Validated (UNII)
Record Version