2-[[4-[(2-amino-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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![2-[[4-[(2-amino-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d685ae67ec744ef094d403300f918aad.png "2-[[4-[(2-amino-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid")
2-[[4-[(2-amino-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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CAS No:
51471-60-4
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Formula:
C21H23N7O5S
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Chemical Name:
2-[[4-[(2-amino-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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Synonyms:
51471-60-4;NSC189804;DTXSID20307149;NSC-189804;N-{4-[{[2-amino-4-(methylsulfanyl)pteridin-6-yl]methyl}(methyl)amino]benzoyl}glutamic acid
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CAS No:
2-[[4-[(2-amino-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Basic Attributes
485.5 g/mol
485.14813803 g/mol
189804
DTXSID20307149
Computed Properties
Molecular Weight:485.5
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:485.14813803
Monoisotopic Mass:485.14813803
Topological Polar Surface Area:210
Heavy Atom Count:34
Complexity:724
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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