(2R,4S)-1-((S)-2-(4-(4-Acetyl-1,4-diazepan-1-yl)-6-((2-(thiophen-2-yl)ethyl)amino)-1,3,5-triazin-2-yl)-18-(tert-butyl)-4,16-dioxo-8,11,14-trioxa-2,5,17-triazanonadecan-19-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

Catalog No. :: ACAYUC972
CAS No. :: 2417159-57-8
Molecular Formula :: C49H70N12O9S2
Molecular Weight :: 1035.31

IUPAC Name:(2R,4S)-1-((S)-2-(4-(4-acetyl-1,4-diazepan-1-yl)-6-((2-(thiophen-2-yl)ethyl)amino)-1,3,5-triazin-2-yl)-18-(tert-butyl)-4,16-dioxo-8,11,14-trioxa-2,5,17-triazanonadecan-19-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

(2R,4S)-1-((S)-2-(4-(4-Acetyl-1,4-diazepan-1-yl)-6-((2-(thiophen-2-yl)ethyl)amino)-1,3,5-triazin-2-yl)-18-(tert-butyl)-4,16-dioxo-8,11,14-trioxa-2,5,17-triazanonadecan-19-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide structure diagram

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Product Information

Product Name	(2R,4S)-1-((S)-2-(4-(4-Acetyl-1,4-diazepan-1-yl)-6-((2-(thiophen-2-yl)ethyl)amino)-1,3,5-triazin-2-yl)-18-(tert-butyl)-4,16-dioxo-8,11,14-trioxa-2,5,17-triazanonadecan-19-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
IUPAC Name	(2R,4S)-1-((S)-2-(4-(4-acetyl-1,4-diazepan-1-yl)-6-((2-(thiophen-2-yl)ethyl)amino)-1,3,5-triazin-2-yl)-18-(tert-butyl)-4,16-dioxo-8,11,14-trioxa-2,5,17-triazanonadecan-19-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
Molecular Formula	C49H70N12O9S2
Molecular Weight	1035.31
SMILES	O=C([C@@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(CN(C2=NC(N3CCN(C(C)=O)CCC3)=NC(NCCC4=CC=CS4)=N2)C)=O)=O)=O)C[C@@H](O)C1)NCC5=CC=C(C6=C(C)N=CS6)C=C5
InChI Key	IXTMPMLKABNFTQ-LLIFGLRNSA-N
Synonym	3,6,9-Trioxa-12,15-diazahexadecanamide, 15-[4-(4-acetylhexahydro-1H-1,4-diazepin-1-yl)-6-[[2-(2-thienyl)ethyl]amino]-1,3,5-triazin-2-yl]-N-[(1S)-1-[[(2R,4S)-4-hydroxy-2-[[[[4-(4-methyl-5-thiazolyl)phenyl]methyl]amino]carbonyl]-1-pyrrolidinyl]carbonyl]-2,2-dimethylpropyl]-13-oxo-;C004019
CAS No.	2417159-57-8

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302-H315-H319
Precautionary Statement(s): P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

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ACAYUC9722417159-57-8

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ACAYUC9722417159-57-8

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(2R,4S)-1-((S)-2-(4-(4-Acetyl-1,4-diazepan-1-yl)-6-((2-(thiophen-2-yl)ethyl)amino)-1,3,5-triazin-2-yl)-18-(tert-butyl)-4,16-dioxo-8,11,14-trioxa-2,5,17-triazanonadecan-19-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

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Synthetic Route by SureRoute

1. ACAYUC972 Molecular Building Block Synthetic Route

2. ACAYUC972 Molecular Building Block Synthetic Route

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(2R,4S)-1-((S)-2-(4-(4-Acetyl-1,4-diazepan-1-yl)-6-((2-(thiophen-2-yl)ethyl)amino)-1,3,5-triazin-2-yl)-18-(tert-butyl)-4,16-dioxo-8,11,14-trioxa-2,5,17-triazanonadecan-19-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

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Safety Data

Synthetic Route by SureRoute

(2S,4R)-1-((S)-14-amino-2-(tert-butyl)-4-oxo-6,9,12-trioxa-3-azatetradecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-((S)-17-Amino-2-(tert-butyl)-4-oxo-6,9,12,15-tetraoxa-3-azaheptadecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride

(2S,4R)-1-((S)-14-Amino-2-(tert-butyl)-4-oxo-6,9,12-trioxa-3-azatetradecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride

(2S,4R)-1-((S)-2-(2-(2-(2-Aminoethoxy)ethoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride

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