(2S)-2-(Dimethylamino)-4-methyl-N-[(3R,4S,7S)-3-(1-methylethyl)-7-[(1R)-1-methylpropyl]-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide

CAS Registry Number®

19542-37-1

CAS Name

(2S)-2-(Dimethylamino)-4-methyl-N-[(3R,4S,7S)-3-(1-methylethyl)-7-[(1R)-1-methylpropyl]-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide

Molecular Formula

C28H44N4O4

Molecular Mass

500.67

Cite this Page

(2S)-2-(Dimethylamino)-4-methyl-N-[(3R,4S,7S)-3-(1-methylethyl)-7-[(1R)-1-methylpropyl]-5,8-dioxo-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=19542-37-1 (retrieved 2024-11-22) (CAS RN: 19542-37-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    279-280.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/t19-,22+,23+,24+,25-/m1/s1

InChIKey

InChIKey=OMVRKRVDDRUXPW-XUAUANCBSA-N

SMILES

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

Canonical SMILES

O=C1NC=CC=2C=CC(OC(C(NC(=O)C(N(C)C)CC(C)C)C(=O)NC1C(C)CC)C(C)C)=CC2

Other Names for this Substance

  • Pentanamide, 2-(dimethylamino)-4-methyl-N-[(3R,4S,7S)-3-(1-methylethyl)-7-[(1R)-1-methylpropyl]-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, (2S)-
  • Pentanamide, 2-(dimethylamino)-4-methyl-N-[3-(1-methylethyl)-7-(1-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R*,4S*(S*),7S*(R*)]]-
  • Adouetine X
  • 2-Oxa-6,9-diazabicyclo[10.2.2]hexadecane, pentanamide deriv.
  • (2S)-2-(Dimethylamino)-4-methyl-N-[(3R,4S,7S)-3-(1-methylethyl)-7-[(1R)-1-methylpropyl]-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide

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Deleted or Replaced CAS Registry Numbers

26294-54-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration