2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
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![2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c532a6f812a345c39e7f22bbf44c28a4.png "2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid")
2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
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CAS No:
41600-13-9
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Formula:
C25H29N9O8
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Chemical Name:
2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
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Synonyms:
NSC269401;41600-13-9;4-Amino-4-deoxy-N10-methylpteroylglutamyl-g-glutamate;L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-g-glutamyl-;L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-g-glutamyl-;NSC 269401;CHEMBL8202;SCHEMBL14027574;DTXSID10961835;L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-;NSC-269401;L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino];L-Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-.gamma.-glutamyl]-;2-[[4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid;N-[4-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzamido)-4-carboxy-1-hydroxybutylidene]glutamic acid
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CAS No:
2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid Basic Attributes
583.6 g/mol
583.21390892 g/mol
269401
Computed Properties
Molecular Weight:583.6
XLogP3:-2.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:14
Exact Mass:583.21390892
Monoisotopic Mass:583.21390892
Topological Polar Surface Area:277
Heavy Atom Count:42
Complexity:980
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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