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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11N3O2
Molecular Weight 205.2132
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRYPTAZAN, (S)-

SMILES

N[C@@H](CC1=C2C=CC=CC2=NN1)C(O)=O

InChI

InChIKey=IFEKQNAXDMZERW-ZETCQYMHSA-N
InChI=1S/C10H11N3O2/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9/h1-4,7H,5,11H2,(H,12,13)(H,14,15)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H11N3O2
Molecular Weight 205.2132
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:15:56 GMT 2023
Edited
by admin
on Sat Dec 16 08:15:56 GMT 2023
Record UNII
QPX7ANH5RT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRYPTAZAN, (S)-
Common Name English
2H-INDAZOLE-3-PROPANOIC ACID, .ALPHA.-AMINO-, (.ALPHA.S)-
Systematic Name English
(2S)-2-AMINO-3-(1H-INDAZOL-3-YL)PROPANOIC ACID
Systematic Name English
(.ALPHA.S)-.ALPHA.-AMINO-1H-INDAZOLE-3-PROPANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
53538-54-8
Created by admin on Sat Dec 16 08:15:56 GMT 2023 , Edited by admin on Sat Dec 16 08:15:56 GMT 2023
PRIMARY
PUBCHEM
3246003
Created by admin on Sat Dec 16 08:15:56 GMT 2023 , Edited by admin on Sat Dec 16 08:15:56 GMT 2023
PRIMARY
FDA UNII
QPX7ANH5RT
Created by admin on Sat Dec 16 08:15:56 GMT 2023 , Edited by admin on Sat Dec 16 08:15:56 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER