2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
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![2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8592d73977174c088d670ef70877f722.png "2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid")
2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
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CAS No:
71074-49-2
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Formula:
C25H29N9O8
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Chemical Name:
2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
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Synonyms:
MeAPA-Glu-Glu;methotrexate-alpha glutamate;71074-49-2;Meapa-glu-glu;SCHEMBL14027564;DTXSID50991358;NSC292224;NSC 292224;NSC-292224;L-Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-.alpha.-glutamyl]-;L-Glutamic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-alpha-glutamyl)-;N-[2-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzamido)-4-carboxy-1-hydroxybutylidene]glutamic acid
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CAS No:
2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid Basic Attributes
583.6 g/mol
583.21390892 g/mol
292224
Computed Properties
Molecular Weight:583.6
XLogP3:-2.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:14
Exact Mass:583.21390892
Monoisotopic Mass:583.21390892
Topological Polar Surface Area:277
Heavy Atom Count:42
Complexity:980
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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