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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N2O3
Molecular Weight 288.3416
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-HYDROXY-3-METHYL-2-BUTENYL)TRYPTOPHAN, (E)-

SMILES

C\C(CO)=C/CC1=CC=CC2=C1C(C[C@H](N)C(O)=O)=CN2

InChI

InChIKey=MVHFMLCRUSMGMX-KADSFNECSA-N
InChI=1S/C16H20N2O3/c1-10(9-19)5-6-11-3-2-4-14-15(11)12(8-18-14)7-13(17)16(20)21/h2-5,8,13,18-19H,6-7,9,17H2,1H3,(H,20,21)/b10-5+/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20N2O3
Molecular Weight 288.3416
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:18:33 GMT 2023
Edited
by admin
on Sat Dec 16 10:18:33 GMT 2023
Record UNII
NDN3Y8E7K1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-HYDROXY-3-METHYL-2-BUTENYL)TRYPTOPHAN, (E)-
Systematic Name English
L-TRYPTOPHAN, 4-(4-HYDROXY-3-METHYL-2-BUTENYL)-, (E)-
Systematic Name English
Code System Code Type Description
CAS
65166-98-5
Created by admin on Sat Dec 16 10:18:33 GMT 2023 , Edited by admin on Sat Dec 16 10:18:33 GMT 2023
PRIMARY
FDA UNII
NDN3Y8E7K1
Created by admin on Sat Dec 16 10:18:33 GMT 2023 , Edited by admin on Sat Dec 16 10:18:33 GMT 2023
PRIMARY
PUBCHEM
117587525
Created by admin on Sat Dec 16 10:18:33 GMT 2023 , Edited by admin on Sat Dec 16 10:18:33 GMT 2023
PRIMARY