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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H29N3O5
Molecular Weight 583.6326
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [4-[1-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate, (1S)-

SMILES

CC1=CC(C)=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN3C(=O)C4=CC=CC=C4C3=O)C(=O)NC5=CC6=C(C=C5)C=NC=C6

InChI

InChIKey=OGTOQCIFKUJROY-JGCGQSQUSA-N
InChI=1S/C36H29N3O5/c1-22-7-14-29(23(2)17-22)36(43)44-21-24-8-10-25(11-9-24)32(20-39-34(41)30-5-3-4-6-31(30)35(39)42)33(40)38-28-13-12-27-19-37-16-15-26(27)18-28/h3-19,32H,20-21H2,1-2H3,(H,38,40)/t32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H29N3O5
Molecular Weight 583.6326
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 19:13:44 GMT 2023
Edited
by admin
on Sat Dec 16 19:13:44 GMT 2023
Record UNII
MWA6T3A4EM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[4-[1-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate, (1S)-
Systematic Name English
[4-[(1S)-1-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate
Systematic Name English
Benzoic acid, 2,4-dimethyl-, [4-[(1S)-1-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl ester
Systematic Name English
Code System Code Type Description
CAS
2574473-85-9
Created by admin on Sat Dec 16 19:13:44 GMT 2023 , Edited by admin on Sat Dec 16 19:13:44 GMT 2023
PRIMARY
PUBCHEM
156664917
Created by admin on Sat Dec 16 19:13:44 GMT 2023 , Edited by admin on Sat Dec 16 19:13:44 GMT 2023
PRIMARY
FDA UNII
MWA6T3A4EM
Created by admin on Sat Dec 16 19:13:44 GMT 2023 , Edited by admin on Sat Dec 16 19:13:44 GMT 2023
PRIMARY