BMS-955176 TFA

Catalog No. :
ACFVAU609
CAS No. :
2097784-79-5
Molecular Formula :
C44H63F3N2O6S
Molecular Weight :
805.06

IUPAC Name:2,2,2-trifluoroacetic acid--4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid (1/1)

BMS-955176 TFA structure diagram
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Product Information

Product NameBMS-955176 TFA
IUPAC Name2,2,2-trifluoroacetic acid--4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid (1/1)
Molecular FormulaC44H63F3N2O6S
Molecular Weight805.06
SMILESC=C(C)[C@@H]1CC[C@]2(NCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC=C(C(=O)O)C=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.O=C(O)C(F)(F)F
InChI KeyJYVSPALDLXCBTP-BRHUKUJJSA-N
SynonymBMS-955176(TFA)
CAS No.2097784-79-5

Synthetic Route by SureRoute

1. ACFVAU609 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACFVAU609 route product structure diagram
    ACFVAU6092097784-79-5
Inquiry

2. ACFVAU609 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACFVAU609 route product structure diagram
    ACFVAU6092097784-79-5
Inquiry

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