2-[[4-[(2,4-diaminopteridin-6-yl)methyl-octylamino]benzoyl]amino]pentanedioic acid
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![2-[[4-[(2,4-diaminopteridin-6-yl)methyl-octylamino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/17096a8b6906482fbf043ff9a9f7d4e9.png "2-[[4-[(2,4-diaminopteridin-6-yl)methyl-octylamino]benzoyl]amino]pentanedioic acid")
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-octylamino]benzoyl]amino]pentanedioic acid
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CAS No:
82318-24-9
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Formula:
C27H36N8O5
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Chemical Name:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-octylamino]benzoyl]amino]pentanedioic acid
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Synonyms:
CHEMBL171757;82318-24-9;NSC330776;DTXSID50318425;BDBM50028604;NSC-330776;DS-012766;2-[[4-[(2,4-diaminopteridin-6-yl)methyl-octyl-amino]benzoyl]amino]pentanedioic acid;2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-octyl-amino]-benzoylamino}-pentanedioic acid
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CAS No:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-octylamino]benzoyl]amino]pentanedioic acid Basic Attributes
552.6 g/mol
552.28086628 g/mol
330776
DTXSID50318425
Computed Properties
Molecular Weight:552.6
XLogP3:1.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:16
Exact Mass:552.28086628
Monoisotopic Mass:552.28086628
Topological Polar Surface Area:211
Heavy Atom Count:40
Complexity:812
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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