(2R)-2-[[(2S)-4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
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![(2R)-2-[[(2S)-4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fda5da6202264826ad2aa2d78705e9cf.png "(2R)-2-[[(2S)-4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid")
(2R)-2-[[(2S)-4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
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CAS No:
71074-48-1
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Formula:
C24H27N9O8
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Chemical Name:
(2R)-2-[[(2S)-4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
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Synonyms:
alpha-aspartyl methotrexate;methotrexate alpha aspartyl ester;methotrexate alpha-aspartate;alpha-Aspartyl methotrexate;Methotrexate alpha-aspartate;Methotrexate alpha aspartyl ester;NSC 292225;L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methy l)methylamino)benzoyl)-L-alpha-glutamyl)-
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CAS No:
(2R)-2-[[(2S)-4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid Basic Attributes
569.5 g/mol
569.19825885 g/mol
292225
Computed Properties
Molecular Weight:569.5
XLogP3:-3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:13
Exact Mass:569.19825885
Monoisotopic Mass:569.19825885
Topological Polar Surface Area:277
Heavy Atom Count:41
Complexity:963
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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