AG 1402

CAS Registry Number®

213135-56-9

CAS Name

AG 1402

Molecular Formula

C32H45N3O5S

Molecular Mass

583.78

Cite this Page

AG 1402.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=213135-56-9 (retrieved 2024-11-22) (CAS RN: 213135-56-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H45N3O5S/c1-21-25(14-9-15-28(21)37)30(39)33-26(19-41-24-12-5-4-6-13-24)29(38)18-35-17-23-11-8-7-10-22(23)16-27(35)31(40)34-32(2,3)20-36/h4-6,9,12-15,22-23,26-27,29,36-38H,7-8,10-11,16-20H2,1-3H3,(H,33,39)(H,34,40)/t22-,23+,26-,27-,29+/m0/s1

InChIKey

InChIKey=SLEPDNKZXLVSOH-HKWSIXNMSA-N

SMILES

C(NC(CO)(C)C)(=O)[C@H]1N(C[C@H]([C@@H](NC(=O)C2=C(C)C(O)=CC=C2)CSC3=CC=CC=C3)O)C[C@@]4([C@](C1)(CCCC4)[H])[H]

Canonical SMILES

O=C(NC(CSC=1C=CC=CC1)C(O)CN2CC3CCCCC3CC2C(=O)NC(C)(C)CO)C=4C=CC=C(O)C4C

Other Names for this Substance

  • 3-Isoquinolinecarboxamide, decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)-
  • (3S,4aS,8aS)-Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide
  • AG 1402
  • M 8
  • Nelfinavir hydroxy-tert-butylamide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration