(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid

CAS Registry Number®

195529-54-5

CAS Name

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid

Molecular Formula

C33H38N2O6

Molecular Mass

558.66

Cite this Page

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=195529-54-5 (retrieved 2024-10-31) (CAS RN: 195529-54-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1

InChIKey

InChIKey=LQEHCKYYIXQEBM-FUKIBTTHSA-N

SMILES

C(O)(=O)[C@H]1[C@@H](N(CC(NC2=C(CC)C=CC=C2CC)=O)C[C@@H]1C=3C=C4C(=CC3)OCO4)C5=CC=C(OCCC)C=C5

Canonical SMILES

O=C(O)C1C(C2=CC=C(OCCC)C=C2)N(CC(=O)NC=3C(=CC=CC3CC)CC)CC1C4=CC=C5OCOC5=C4

Other Names for this Substance

  • 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-, (2R,3R,4S)-
  • 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-, [2R-(2α,3β,4α)]-
  • (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid
  • A 192621
  • A 192621.1

Deleted or Replaced CAS Registry Numbers

318295-69-1

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS