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2-{(E)-2-[(3E)-2-(4-{(2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)amino]-2-carboxyethyl}phenoxy)-3-{(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-yl idene]ethylidene}-1-cyclohexen-1-yl]vinyl}-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium-5-sulfonate

Molecular formula:C61H67N9O17S4
Average mass:1326.493
Monoisotopic mass:1325.353776
ChemSpider ID:34990487
stereocenter-icon

1 of 1 defined stereocentres

double-bond-stereo-icon

Double-bond stereo

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Verified

1628423-76-6

[RN]

2-{(E)-2-[(3E)-2-(4-{(2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)amino]-2-carboxyethyl}phenoxy)-3-{(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-yl iden]ethyliden}-1-cyclohexen-1-yl]vinyl}-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium-5-sulfonat

[German]

[ACD/IUPAC Name]

2-{(E)-2-[(3E)-2-(4-{(2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)amino]-2-carboxyethyl}phenoxy)-3-{(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-yl idene]ethylidene}-1-cyclohexen-1-yl]vinyl}-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium-5-sulfonate

[ACD/IUPAC Name]

2-{(E)-2-[(3E)-2-(4-{(2S)-2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-ptéridinyl)méthyl]amino}benzoyl)amino]-2-carboxyéthyl}phénoxy)-3-{(2E)-2-[3,3-diméthyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-yl idène]éthylidène}-1-cyclohexén-1-yl]vinyl}-3,3-diméthyl-1-(4-sulfobutyl)-3H-indolium-5-sulfonate

[French]

[ACD/IUPAC Name]

L-Tyrosine, N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-O-[(6E)-6-[(2E)-2-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-2-[(E)-2-[3,3-dimet hyl-5-sulfo-1-(4-sulfobutyl)-3H-indolium-2-yl]ethenyl]-1-cyclohexen-1-yl]-, inner salt

[ACD/Index Name]
Unverified

pafolacianine

[USAN]
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