2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
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![2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0b573fa763c14a7682262b85584757f7.png "2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid")
2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
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CAS No:
56527-31-2
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Formula:
C19H19N7O5S
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Chemical Name:
2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
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Synonyms:
CHEMBL10591;56527-31-2;10-Thioaminopterin;NSC248859;DTXSID70311998;BDBM50028368;NSC-248859;2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid;DS-012767;2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-benzoylamino]-pentanedioic acid;2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-benzoylamino]-pentanedioic acid (10-Thioaminopterin)
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CAS No:
2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid Basic Attributes
457.5 g/mol
457.11683791 g/mol
248859
DTXSID70311998
Computed Properties
Molecular Weight:457.5
XLogP3:-1.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:457.11683791
Monoisotopic Mass:457.11683791
Topological Polar Surface Area:233
Heavy Atom Count:32
Complexity:679
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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