Methyl (5S,8S,11S,14S)-11-((1H-imidazol-5-yl)methyl)-14-(2-fluoroacetyl)-5-isobutyl-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate 2,2,2-trifluoroacetate

Catalog No. :: ACNCAR625
CAS No. :: 524746-03-0
Molecular Formula :: C34H44F4N6O12
Molecular Weight :: 804.75

IUPAC Name:methyl (5S,8S,11S,14S)-11-((1H-imidazol-5-yl)methyl)-14-(2-fluoroacetyl)-5-isobutyl-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate 2,2,2-trifluoroacetate

Methyl (5S,8S,11S,14S)-11-((1H-imidazol-5-yl)methyl)-14-(2-fluoroacetyl)-5-isobutyl-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate 2,2,2-trifluoroacetate structure diagram

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Product Information

Product Name	Methyl (5S,8S,11S,14S)-11-((1H-imidazol-5-yl)methyl)-14-(2-fluoroacetyl)-5-isobutyl-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate 2,2,2-trifluoroacetate
IUPAC Name	methyl (5S,8S,11S,14S)-11-((1H-imidazol-5-yl)methyl)-14-(2-fluoroacetyl)-5-isobutyl-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate 2,2,2-trifluoroacetate
Molecular Formula	C34H44F4N6O12
Molecular Weight	804.75
SMILES	C(C(O)=O)(F)(F)F.[C@@H](CC1=CN=CN1)(NC([C@@H](NC([C@@H](NC(OCC2=CC=CC=C2)=O)CC(C)C)=O)CCC(OC)=O)=O)C(N[C@@H](CC(OC)=O)C(CF)=O)=O
InChI Key	XCKBDLPYFKIMOO-NATPOTRJSA-N
Synonym	Caspase-9 Inhibitor
CAS No.	524746-03-0
PubChem CID	138375814

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ACNCAR625524746-03-0

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ACNCAR625524746-03-0

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Methyl (5S,8S,11S,14S)-11-((1H-imidazol-5-yl)methyl)-14-(2-fluoroacetyl)-5-isobutyl-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate 2,2,2-trifluoroacetate

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Synthetic Route by SureRoute

1. ACNCAR625 Molecular Building Block Synthetic Route

2. ACNCAR625 Molecular Building Block Synthetic Route

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Methyl (5S,8S,11S,14S)-11-((1H-imidazol-5-yl)methyl)-14-(2-fluoroacetyl)-5-isobutyl-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate 2,2,2-trifluoroacetate

Product Information

Synthetic Route by SureRoute

Methyl (5S,8S,11S,14S)-11-((1H-imidazol-5-yl)methyl)-14-(2-fluoroacetyl)-5-isobutyl-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate

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((Benzyloxy)carbonyl)-L-histidyl-L-leucine

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