2-[(E,3E)-3-[1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propyl]indol-1-ium-5-sulfonate
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![2-[(E,3E)-3-[1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propyl]indol-1-ium-5-sulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3ca25be60182428cae016bad518f97ef.png "2-[(E,3E)-3-[1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propyl]indol-1-ium-5-sulfonate")
2-[(E,3E)-3-[1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propyl]indol-1-ium-5-sulfonate
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CAS No:
1905399-93-0
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Formula:
C38H39N7O9S2
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Chemical Name:
2-[(E,3E)-3-[1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propyl]indol-1-ium-5-sulfonate
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Synonyms:
1-(3-((4-(1,2,4,5-Tetrazin-3-yl)benzyl)amino)-3-oxopropyl)-2-(3-(1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate;1905399-93-0
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CAS No:
2-[(E,3E)-3-[1-(2-carboxyethyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propyl]indol-1-ium-5-sulfonate Basic Attributes
801.9 g/mol
801.22506819 g/mol
Computed Properties
Molecular Weight:801.9
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:12
Exact Mass:801.22506819
Monoisotopic Mass:801.22506819
Topological Polar Surface Area:253
Heavy Atom Count:56
Complexity:1760
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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