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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27N3O4
Molecular Weight 373.4461
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1-((4-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOLE-3-CARBONYL)-L-VALINE

SMILES

CC(C)[C@H](NC(=O)C1=NN(CC2CCC(O)CC2)C3=C1C=CC=C3)C(O)=O

InChI

InChIKey=DGLBMACIGDZWJF-KVULBXGLSA-N
InChI=1S/C20H27N3O4/c1-12(2)17(20(26)27)21-19(25)18-15-5-3-4-6-16(15)23(22-18)11-13-7-9-14(24)10-8-13/h3-6,12-14,17,24H,7-11H2,1-2H3,(H,21,25)(H,26,27)/t13?,14?,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H27N3O4
Molecular Weight 373.4461
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 18:25:37 GMT 2023
Edited
by admin
on Sat Dec 16 18:25:37 GMT 2023
Record UNII
FAU825SN8L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1-((4-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOLE-3-CARBONYL)-L-VALINE
Systematic Name English
AB-CHMINACA METABOLITE M3A
Common Name English
L-VALINE, N-((1-((4-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOL-3-YL)CARBONYL)-
Systematic Name English
Code System Code Type Description
CAS
2131173-58-3
Created by admin on Sat Dec 16 18:25:37 GMT 2023 , Edited by admin on Sat Dec 16 18:25:37 GMT 2023
PRIMARY
PUBCHEM
125181261
Created by admin on Sat Dec 16 18:25:37 GMT 2023 , Edited by admin on Sat Dec 16 18:25:37 GMT 2023
PRIMARY
CAYMAN
16391
Created by admin on Sat Dec 16 18:25:37 GMT 2023 , Edited by admin on Sat Dec 16 18:25:37 GMT 2023
PRIMARY
FDA UNII
FAU825SN8L
Created by admin on Sat Dec 16 18:25:37 GMT 2023 , Edited by admin on Sat Dec 16 18:25:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE