3-(3,3-dimethyl-2-(5-(3-methyl-3-(5-oxo-5-(prop-2-yn-1-ylamino)pentyl)-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-5-sulfoindolin-1-yl)propane-1-sulfonate

Catalog No. :: ACYBEV823
CAS No. :: -
Molecular Formula :: C38H46N3O13S4-
Molecular Weight :: 881.06

IUPAC Name:3-((E)-3,3-dimethyl-2-((2E,4E)-5-(3-methyl-3-(5-oxo-5-(prop-2-yn-1-ylamino)pentyl)-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-5-sulfoindolin-1-yl)propane-1-sulfonate

3-(3,3-dimethyl-2-(5-(3-methyl-3-(5-oxo-5-(prop-2-yn-1-ylamino)pentyl)-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-5-sulfoindolin-1-yl)propane-1-sulfonate structure diagram

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Product Information

Product Name	3-(3,3-dimethyl-2-(5-(3-methyl-3-(5-oxo-5-(prop-2-yn-1-ylamino)pentyl)-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-5-sulfoindolin-1-yl)propane-1-sulfonate
IUPAC Name	3-((E)-3,3-dimethyl-2-((2E,4E)-5-(3-methyl-3-(5-oxo-5-(prop-2-yn-1-ylamino)pentyl)-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-5-sulfoindolin-1-yl)propane-1-sulfonate
Molecular Formula	C38H46N3O13S4-
Molecular Weight	881.06
SMILES	C#CCNC(CCCCC1(C)C2=C([N+](CCCS(=O)([O-])=O)=C1/C=C/C=C/C=C3C(C)(C4=CC(S(=O)(O)=O)=CC=C4N\3CCCS(=O)([O-])=O)C)C=CC(S(=O)(O)=O)=C2)=O
InChI Key	ZOAHYPPQNLHVJR-UHFFFAOYSA-M

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ACYBEV823-

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3-(3,3-dimethyl-2-(5-(3-methyl-3-(5-oxo-5-(prop-2-yn-1-ylamino)pentyl)-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-5-sulfoindolin-1-yl)propane-1-sulfonate

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Synthetic Route by SureRoute

1. ACYBEV823 Molecular Building Block Synthetic Route

2. ACYBEV823 Molecular Building Block Synthetic Route

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3-(3,3-dimethyl-2-(5-(3-methyl-3-(5-oxo-5-(prop-2-yn-1-ylamino)pentyl)-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-5-sulfoindolin-1-yl)propane-1-sulfonate

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Synthetic Route by SureRoute

3-(3-(4-Carboxybutyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

3-(3-(5-Carboxypentyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

3-(3-(5-Carboxypentyl)-2-(3-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

3-(3,3-Dimethyl-2-(5-(3-methyl-3-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

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