(2S,3R)-2-(Dimethylamino)-3-methyl-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide

CAS Registry Number®

18067-39-5

CAS Name

(2S,3R)-2-(Dimethylamino)-3-methyl-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide

Molecular Formula

C31H42N4O4

Molecular Mass

534.69

Cite this Page

(2S,3R)-2-(Dimethylamino)-3-methyl-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18067-39-5 (retrieved 2025-02-19) (CAS RN: 18067-39-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    278 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/t21-,25+,26+,27+,28-/m1/s1

InChIKey

InChIKey=KGRSGRNSVOPQEA-YPPKGYTGSA-N

SMILES

N(C([C@H]([C@@H](CC)C)N(C)C)=O)[C@H]1[C@H](OC=2C=CC(=CC2)C=CNC(=O)[C@H](CC(C)C)NC1=O)C3=CC=CC=C3

Canonical SMILES

O=C1NC=CC=2C=CC(OC(C=3C=CC=CC3)C(NC(=O)C(N(C)C)C(C)CC)C(=O)NC1CC(C)C)=CC2

Other Names for this Substance

  • Pentanamide, 2-(dimethylamino)-3-methyl-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, (2S,3R)-
  • Integerrenine
  • Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R*,4S*(2S*,3R*),7S*]]-
  • 2-Oxa-6,9-diazabicyclo[10.2.2]hexadecane, pentanamide deriv.
  • (2S,3R)-2-(Dimethylamino)-3-methyl-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide

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