(2S)-2-(Dimethylamino)-N-[(3R,4S,7S)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methylbutanamide

CAS Registry Number®

18397-13-2

CAS Name

(2S)-2-(Dimethylamino)-N-[(3R,4S,7S)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methylbutanamide

Molecular Formula

C35H39N5O4

Molecular Mass

593.72

Cite this Page

(2S)-2-(Dimethylamino)-N-[(3R,4S,7S)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methylbutanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18397-13-2 (retrieved 2024-11-22) (CAS RN: 18397-13-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    258 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/t29-,30-,31-,32+/m0/s1

InChIKey

InChIKey=BDHCXPWIDHVEQN-RTNMLALUSA-N

SMILES

N(C([C@H](C(C)C)N(C)C)=O)[C@H]1[C@H](OC=2C=CC(=CC2)C=CNC(=O)[C@H](CC=3C=4C(NC3)=CC=CC4)NC1=O)C5=CC=CC=C5

Canonical SMILES

O=C1NC=CC=2C=CC(OC(C=3C=CC=CC3)C(NC(=O)C(N(C)C)C(C)C)C(=O)NC1CC4=CNC=5C=CC=CC54)=CC2

Other Names for this Substance

  • Butanamide, 2-(dimethylamino)-N-[(3R,4S,7S)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-, (2S)-
  • Integerrine
  • Butanamide, 2-(dimethylamino)-N-[7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-, [3R-[3R*,4S*(S*),7S*]]-
  • 2-Oxa-6,9-diazabicyclo[10.2.2]hexadecane, butanamide deriv.
  • (2S)-2-(Dimethylamino)-N-[(3R,4S,7S)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methylbutanamide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration