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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H23N3O5
Molecular Weight 361.3923
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYL 2-(ACETYLAMINO)-2-((5-AMINO-1H-INDOL-3-YL)METHYL)MALONATE

SMILES

CCOC(=O)C(CC1=CNC2=C1C=C(N)C=C2)(NC(C)=O)C(=O)OCC

InChI

InChIKey=LMIVCDUFWCNZDD-UHFFFAOYSA-N
InChI=1S/C18H23N3O5/c1-4-25-16(23)18(21-11(3)22,17(24)26-5-2)9-12-10-20-15-7-6-13(19)8-14(12)15/h6-8,10,20H,4-5,9,19H2,1-3H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C18H23N3O5
Molecular Weight 361.3923
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:47:29 GMT 2025
Edited
by admin
on Tue Apr 01 19:47:29 GMT 2025
Record UNII
ACF1IB6KN8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-63027
Preferred Name English
DIETHYL 2-(ACETYLAMINO)-2-((5-AMINO-1H-INDOL-3-YL)METHYL)MALONATE
Systematic Name English
PROPANEDIOIC ACID, (ACETYLAMINO)((5-AMINO-1H-INDOL-3-YL)METHYL)-, DIETHYL ESTER
Common Name English
PROPANEDIOIC ACID, 2-(ACETYLAMINO)-2-((5-AMINO-1H-INDOL-3-YL)METHYL)-, 1,3-DIETHYL ESTER
Common Name English
MALONIC ACID, ACETAMIDO((5-AMINOINDOL-3-YL)METHYL)-, DIETHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40219770
Created by admin on Tue Apr 01 19:47:29 GMT 2025 , Edited by admin on Tue Apr 01 19:47:29 GMT 2025
PRIMARY
PUBCHEM
247760
Created by admin on Tue Apr 01 19:47:29 GMT 2025 , Edited by admin on Tue Apr 01 19:47:29 GMT 2025
PRIMARY
CAS
6952-16-5
Created by admin on Tue Apr 01 19:47:29 GMT 2025 , Edited by admin on Tue Apr 01 19:47:29 GMT 2025
PRIMARY
FDA UNII
ACF1IB6KN8
Created by admin on Tue Apr 01 19:47:29 GMT 2025 , Edited by admin on Tue Apr 01 19:47:29 GMT 2025
PRIMARY
NSC
63027
Created by admin on Tue Apr 01 19:47:29 GMT 2025 , Edited by admin on Tue Apr 01 19:47:29 GMT 2025
PRIMARY