2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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![2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d09d5e3af8974148a55d046cc2bd6c6e.png "2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid")
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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CAS No:
76822-62-3
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Formula:
C21H23N7O5
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Chemical Name:
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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Synonyms:
8-Deazamethotrexate; N-[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-ylmethyl)methylamino]benzoyl]-L-glutamic acid; L-Glutamic acid,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl]methylamino]benzoyl];
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CAS No:
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Basic Attributes
453.45100
453.17606686 g/mol
344244
DTXSID40319365
Computed Properties
Molecular Weight:453.5
XLogP3:0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:453.17606686
Monoisotopic Mass:453.17606686
Topological Polar Surface Area:198
Heavy Atom Count:33
Complexity:703
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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