(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid
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![(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/02123794cb9848268a9f06290e6af859.png "(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid")
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid
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CAS No:
136242-91-6
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Formula:
C21H21F3N8O5
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Chemical Name:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid
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Synonyms:
NSC 144698;136242-91-6;NSC144698;(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)-3-(trifluoromethyl)benzoyl)-L-glutamic acid;L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3-(trifluoromethyl)benzoyl)-;L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-3-(trifluoromethyl)benzoyl]-;DTXSID40159743;ZINC1728060;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid
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CAS No:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-(trifluoromethyl)benzoyl]amino]pentanedioic acid Basic Attributes
522.4 g/mol
522.15870029 g/mol
DTXSID40159743
Computed Properties
Molecular Weight:522.4
XLogP3:-1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:522.15870029
Monoisotopic Mass:522.15870029
Topological Polar Surface Area:211
Heavy Atom Count:37
Complexity:837
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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