2-[[4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
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![2-[[4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ebfa9e3f8e3c4000934f9610f5e7107f.png "2-[[4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid")
2-[[4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
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CAS No:
18979-22-1
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Formula:
C17H20N6O5
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Chemical Name:
2-[[4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
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Synonyms:
NSC112421;18979-22-1;NSC 112421;N-((4-(((2,4-Diamino-5-pyrimidinyl)methyl)amino)phenyl)carbonyl)-L-glutamic acid;NSC-112421;Glutamic acid,4-diamino-5-pyrimidinyl)methyl]amino]benzoyl], L-
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CAS No:
2-[[4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid Basic Attributes
388.4 g/mol
388.14951776 g/mol
112421
Computed Properties
Molecular Weight:388.4
XLogP3:-0.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:388.14951776
Monoisotopic Mass:388.14951776
Topological Polar Surface Area:194
Heavy Atom Count:28
Complexity:554
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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