(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-(2-(2-(2-(2-((((8R,9S,13S,14S,E)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-ylidene)amino)oxy)acetamido)ethoxy)ethoxy)ethyl)-4-methylpentanamide

Catalog No. :
ACNWTU023
CAS No. :
1351169-29-3
Molecular Formula :
C42H61N5O8
Molecular Weight :
763.98

IUPAC Name:(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-(2-(2-(2-(2-((((8R,9S,13S,14S,E)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-ylidene)amino)oxy)acetamido)ethoxy)ethoxy)ethyl)-4-methylpentanamide

(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-(2-(2-(2-(2-((((8R,9S,13S,14S,E)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-ylidene)amino)oxy)acetamido)ethoxy)ethoxy)ethyl)-4-methylpentanamide structure diagram
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Product Information

Product Name(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-(2-(2-(2-(2-((((8R,9S,13S,14S,E)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-ylidene)amino)oxy)acetamido)ethoxy)ethoxy)ethyl)-4-methylpentanamide
IUPAC Name(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-(2-(2-(2-(2-((((8R,9S,13S,14S,E)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-ylidene)amino)oxy)acetamido)ethoxy)ethoxy)ethyl)-4-methylpentanamide
Molecular FormulaC42H61N5O8
Molecular Weight763.98
SMILESCC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)CO/N=C1\CC[C@H]2[C@@H]3CCC4=C(C=CC(O)=C4)[C@H]3CC[C@]12C
InChI KeyMMDOSMHAAYKBET-UTCZBAMKSA-N
SynonymPROTAC ER Degrader-2;Benzenebutanamide, β-amino-α-hydroxy-N-[(1S)-14-[[(E)-(3-hydroxyestra-1,3,5(10)-trien-17-ylidene)amino]oxy]-1-(2-methylpropyl)-2,13-dioxo-6,9-dioxa-3,12-diazatetradec-1-yl]-, (αS,βR)-;PROTAC ERα Degrader-2
CAS No.1351169-29-3
PubChem CID54764406

Synthetic Route by SureRoute

1. ACNWTU023 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACNWTU023 route product structure diagram
    ACNWTU0231351169-29-3
Inquiry

2. ACNWTU023 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACNWTU023 route product structure diagram
    ACNWTU0231351169-29-3
Inquiry

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