3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, [3S-[2[R*(S*)],3R*]]-

CAS Registry Number®

103775-11-7

CAS Name

3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, [3S-[2[R*(S*)],3R*]]-

Molecular Formula

C27H34N2O7

Molecular Mass

498.57

Cite this Page

3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, [3S-[2[R*(S*)],3R*]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103775-11-7 (retrieved 2024-11-22) (CAS RN: 103775-11-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21+,22-/m0/s1

InChIKey

InChIKey=UWWDHYUMIORJTA-WTOYTKOKSA-N

SMILES

C([C@@H](N[C@H](CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2CC=3C(C[C@H]2C(O)=O)=CC(OC)=C(OC)C3

Canonical SMILES

O=C(O)C1N(C(=O)C(NC(C(=O)OCC)CCC=2C=CC=CC2)C)CC3=CC(OC)=C(OC)C=C3C1

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, [3S-[2[R*(S*)],3R*]]-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration