(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]pentanedioic acid
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![(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/eaaa1590b79446a8bc1caf8d14303d11.png "(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]pentanedioic acid")
(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]pentanedioic acid
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CAS No:
66801-30-7
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Formula:
C27H28N8O7S
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Chemical Name:
(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]pentanedioic acid
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Synonyms:
N(10)-tosylisohomoaminopterin;66801-30-7;N(10)-Tosylisohomoaminopterin;CHEMBL3249766;DTXSID70985375;N-(4-((((((2,4-Diamino-6-pteridinyl)methyl)phenyl)sulfonyl)amino)methyl)benzoyl)-L-glutamic acid;N-[4-({[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)benzoyl]glutamic acid
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CAS No:
(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]pentanedioic acid Basic Attributes
608.6 g/mol
608.18016644 g/mol
Computed Properties
Molecular Weight:608.6
XLogP3:-1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:12
Exact Mass:608.18016644
Monoisotopic Mass:608.18016644
Topological Polar Surface Area:253
Heavy Atom Count:43
Complexity:1080
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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