3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[2-[[1-(methoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-, [3S-[2[R*(R*)],3R*]]-

CAS Registry Number®

118194-43-7

CAS Name

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[2-[[1-(methoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-, [3S-[2[R*(R*)],3R*]]-

Molecular Formula

C24H28N2O5

Molecular Mass

424.49

Cite this Page

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[2-[[1-(methoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-, [3S-[2[R*(R*)],3R*]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118194-43-7 (retrieved 2024-11-22) (CAS RN: 118194-43-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H28N2O5/c1-16(25-20(24(30)31-2)13-12-17-8-4-3-5-9-17)22(27)26-15-19-11-7-6-10-18(19)14-21(26)23(28)29/h3-11,16,20-21,25H,12-15H2,1-2H3,(H,28,29)/t16-,20-,21-/m0/s1

InChIKey

InChIKey=IMIMRLHORUXOFC-NDXORKPFSA-N

SMILES

C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(OC)=O)C)(=O)N2[C@H](C(O)=O)CC=3C(C2)=CC=CC3

Canonical SMILES

O=C(O)C1N(C(=O)C(NC(C(=O)OC)CCC=2C=CC=CC2)C)CC=3C=CC=CC3C1

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[2-[[1-(methoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-, [3S-[2[R*(R*)],3R*]]-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration