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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O5
Molecular Weight 318.3245
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDOLEBUTYROYL ASPARTIC ACID

SMILES

OC(=O)C[C@H](NC(=O)CCCC1=CNC2=CC=CC=C12)C(O)=O

InChI

InChIKey=VZPZSWBXKJFYJG-ZDUSSCGKSA-N
InChI=1S/C16H18N2O5/c19-14(18-13(16(22)23)8-15(20)21)7-3-4-10-9-17-12-6-2-1-5-11(10)12/h1-2,5-6,9,13,17H,3-4,7-8H2,(H,18,19)(H,20,21)(H,22,23)/t13-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AUXISTIM A
Preferred Name English
INDOLEBUTYROYL ASPARTIC ACID
INCI  
INCI  
Official Name English
L-ASPARTIC ACID, N-(4-(1H-INDOL-3-YL)-1-OXOBUTYL)-
Common Name English
ASPARTIC ACID, N-4-INDOL-3-YLBUTYRYL-, L-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80143823
Created by admin on Mon Mar 31 21:03:22 GMT 2025 , Edited by admin on Mon Mar 31 21:03:22 GMT 2025
PRIMARY
FDA UNII
YL6E9848ZV
Created by admin on Mon Mar 31 21:03:22 GMT 2025 , Edited by admin on Mon Mar 31 21:03:22 GMT 2025
PRIMARY
CAS
101289-65-0
Created by admin on Mon Mar 31 21:03:22 GMT 2025 , Edited by admin on Mon Mar 31 21:03:22 GMT 2025
PRIMARY
PUBCHEM
7097261
Created by admin on Mon Mar 31 21:03:22 GMT 2025 , Edited by admin on Mon Mar 31 21:03:22 GMT 2025
PRIMARY