(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide

CAS Registry Number®

136522-17-3

CAS Name

(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide

Molecular Formula

C24H39N3O2

Molecular Mass

401.59

Cite this Page

(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136522-17-3 (retrieved 2024-11-25) (CAS RN: 136522-17-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H39N3O2/c1-24(2,3)26-23(29)21-14-18-11-7-8-12-19(18)15-27(21)16-22(28)20(25)13-17-9-5-4-6-10-17/h4-6,9-10,18-22,28H,7-8,11-16,25H2,1-3H3,(H,26,29)/t18-,19+,20-,21-,22+/m0/s1

InChIKey

InChIKey=YJRJYYPXNAHNMD-LILSUDLASA-N

SMILES

C([C@H]([C@H](CC1=CC=CC=C1)N)O)N2[C@H](C(NC(C)(C)C)=O)C[C@]3([C@@](C2)(CCCC3)[H])[H]

Canonical SMILES

O=C(NC(C)(C)C)C1N(CC(O)C(N)CC=2C=CC=CC2)CC3CCCCC3C1

Other Names for this Substance

  • 3-Isoquinolinecarboxamide, 2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
  • 3-Isoquinolinecarboxamide, 2-(3-amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-, [3S-[2(2S*,3R*),3α,4aβ,8aβ]]-
  • (3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide

Deleted or Replaced CAS Registry Numbers

158849-40-2

CAS INSIGHTSTM
Hourglass and a clock