(2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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![(2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2ff7778afc8f4f70bfec5960e8861a7c.png "(2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid")
(2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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CAS No:
151648-47-4
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Formula:
C20H20Cl2N8O5
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Chemical Name:
(2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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Synonyms:
151648-47-4;L-Glutamic acid, N-(2,6-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-;NSC145883;L-Glutamic acid, N-[2,6-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-;SCHEMBL20228932;DTXSID00164833;ZINC1728420;(2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
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CAS No:
(2S)-2-[[2,6-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Basic Attributes
523.3 g/mol
522.0933712 g/mol
DTXSID00164833
Computed Properties
Molecular Weight:523.3
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:522.0933712
Monoisotopic Mass:522.0933712
Topological Polar Surface Area:211
Heavy Atom Count:35
Complexity:770
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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