(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide

CAS Registry Number®

1041389-28-9

CAS Name

(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide

Molecular Formula

C32H45N3O5S

Molecular Mass

583.78

Cite this Page

(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1041389-28-9 (retrieved 2024-11-22) (CAS RN: 1041389-28-9).  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(15-10-16-28(21)36)30(38)33-26(20-41(40)24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+,41?/m0/s1

InChIKey

InChIKey=RSOLVRGGAAUFHC-VSAYVLMCSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-, (3S,4aS,8aS)-
  • (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration