2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
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![2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b8f0470597dd4b3181cc6290c26954b6.png "2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid")
2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
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CAS No:
136242-98-3
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Formula:
C22H24N6O5
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Chemical Name:
2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
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Synonyms:
NSC184692;136242-98-3;NSC 184692;L-Aspartic acid, N-(4-(((2,4-diamino-5-ethyl-6-quinazolinyl)methyl)amino)benzoyl)-;L-Aspartic acid, N-[4-[[(2,4-diamino-5-ethyl-6-quinazolinyl)methyl]amino]benzoyl]-;CHEMBL1978508;DTXSID60929304;NSC-184692;2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid;L-Aspartic acid, N-[4-[[(2,4-diamino-5-ethyl-6-quinazolinyl)methyl]-;L-Aspartic acid,4-diamino-5-ethyl-6-quinazolinyl)methyl]amino]benzoyl]-;2-[[4-[(2,4-diamino-5-ethyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid;L-Aspartic acid,4-diamino-5-ethyl-6-quinazolinyl)methyl]amino]benzoyl]-, sesquihydrate;N-(4-{[(5-Ethyl-2,4-diimino-1,2,3,4-tetrahydroquinazolin-6-yl)methyl]amino}benzoyl)aspartic acid
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CAS No:
2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid Basic Attributes
452.5 g/mol
452.18081789 g/mol
184692
Computed Properties
Molecular Weight:452.5
XLogP3:1.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:452.18081789
Monoisotopic Mass:452.18081789
Topological Polar Surface Area:194
Heavy Atom Count:33
Complexity:701
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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