(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

Catalog No. :: ACAENJ429
CAS No. :: 2098799-79-0
Molecular Formula :: C29H38N4O6S
Molecular Weight :: 570.71

IUPAC Name:(2S,4R)-1-((S)-3,3-dimethyl-2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide structure diagram

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Product Name	(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
IUPAC Name	(2S,4R)-1-((S)-3,3-dimethyl-2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
MDL No.	MFCD32903614
Molecular Formula	C29H38N4O6S
Molecular Weight	570.71
SMILES	O=C([C@H]1N(C([C@@H](NC(COCCOCC#C)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2
InChI Key	GZSOURYSHDAJDX-MVERNJQCSA-N
Synonym	(S,R,S)-AHPC-O-PEG1-propargyl;(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS No.	2098799-79-0

Safety Data

Pictogram
Signal Word: Achtung
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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(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

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Synthetic Route by SureRoute

1. ACAENJ429 Molecular Building Block Synthetic Route

2. ACAENJ429 Molecular Building Block Synthetic Route

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(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)acetamido)butanoyl)-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)-2-(tert-Butyl)-4-oxo-6,9,12-trioxa-3-azapentadec-14-ynoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

(2S,4R)-1-((S)-2-(tert-Butyl)-4-oxo-6,9,12,15-tetraoxa-3-azaoctadec-17-ynoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

(2S,4R)-1-((S)-2-(tert-Butyl)-4-oxo-6,9,12,15,18-pentaoxa-3-azahenicos-20-ynoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

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

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