(2S)-2-[[4-[[(2,4-diamino-5-chloroquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
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![(2S)-2-[[4-[[(2,4-diamino-5-chloroquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/472c69a59a4f4c59bc5203848a34cbf4.png "(2S)-2-[[4-[[(2,4-diamino-5-chloroquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid")
(2S)-2-[[4-[[(2,4-diamino-5-chloroquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
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CAS No:
97541-74-7
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Formula:
C21H21ClN6O5
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Chemical Name:
(2S)-2-[[4-[[(2,4-diamino-5-chloroquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
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Synonyms:
5-CDDIAP;5-chloro-5,8-dideazaisoaminopterin;5-Cddiap;97541-74-7;DTXSID90913872;5-Chloro-5,8-dideazaisoaminopterin;L-Glutamic acid, N-(4-(((2,4-diamino-5-chloro-6-quinazolinyl)amino)methyl)benzoyl)-;N-[4-[(2,4-Diamino-5-chloroquinazolin-6-ylamino)methyl]benzoyl]-L-glutamic acid;N-(4-{[(5-Chloro-2,4-diimino-1,2,3,4-tetrahydroquinazolin-6-yl)amino]methyl}benzoyl)glutamic acid
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CAS No:
(2S)-2-[[4-[[(2,4-diamino-5-chloroquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Basic Attributes
472.9 g/mol
472.1261955 g/mol
Computed Properties
Molecular Weight:472.9
XLogP3:1.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:472.1261955
Monoisotopic Mass:472.1261955
Topological Polar Surface Area:194
Heavy Atom Count:33
Complexity:707
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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