(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-((R)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)hexanamide

Catalog No. :: ACNPIP569
CAS No. :: 86303-22-2
Molecular Formula :: C42H75N3O16
Molecular Weight :: 878.07

IUPAC Name:(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-((R)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)hexanamide

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-((R)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)hexanamide structure diagram

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Product Name	(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-((R)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)hexanamide
IUPAC Name	(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-((R)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)hexanamide
Molecular Formula	C42H75N3O16
Molecular Weight	878.07
SMILES	C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI Key	ZWEVPYNPHSPIFU-AUGHYPCGSA-N
Synonym	BIG CHAP;CHAP, BIG;2,3,4,5,6-pentahydroxy-N-[3-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propyl-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl]amino]propyl]hexanamide;N,N'-BIS(3-D-GLUCON-AMIDOPROPYL)CHOLAMIDE;N,N-BIS(3-D-GLUCONAMIDOPROPYL)CHOLAMIDE;N N-BIS(3-(D-GLUCONAMIDO)-PROPYL) &;BigChap(N,N-Bis[3-D-Gluconamidopropyl]-Cholamide);(3a,5b,7a,12a)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxycholan-24-amide
CAS No.	86303-22-2

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(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-((R)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)hexanamide

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1. ACNPIP569 Molecular Building Block Synthetic Route

2. ACNPIP569 Molecular Building Block Synthetic Route

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(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-((R)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)hexanamide

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Synthetic Route by SureRoute

(2R,3S,4R,5R)-N-(3-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)pentanamido)propyl)-2,3,4,5,6-pentahydroxyhexanamide

(2R,2'R,3S,3'S,4R,4'R,5R,5'R)-N,N'-(Azanediylbis(propane-3,1-diyl))bis(2,3,4,5,6-pentahydroxyhexanamide)

(2R,3S,4R,5R)-N-Decyl-2,3,4,5,6-pentahydroxyhexanamide

(2R,3S,4R,5R)-N-Dodecyl-2,3,4,5,6-pentahydroxyhexanamide

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