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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H15NO2
Molecular Weight 169.2209
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CARBOXYOCTAHYDROINDOLE, (2S,3AS,7AS)-

SMILES

[H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(O)=O

InChI

InChIKey=CQYBNXGHMBNGCG-FXQIFTODSA-N
InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H15NO2
Molecular Weight 169.2209
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

Substance Class Chemical
Record UNII
9ID44U804I
Record Status Validated (UNII)
Record Version