(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
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![(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7af38b7d9dd247159ec52c6a1b0db586.png "(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid")
(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
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CAS No:
64801-58-7
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Formula:
C24H27N9O8
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Chemical Name:
(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
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Synonyms:
methotrexate-gamma-aspartate;Methotrexate-gamma-aspartate;64801-58-7;((S)-4-carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoyl)-L-aspartic acid;NSC 275631;N-[4-[Methyl(2,4-diaminopteridine-6-ylmethyl)amino]benzoyl]-gammaGlu-Asp-OH;(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid;L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-gamma-glutamyl)-
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CAS No:
(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid Basic Attributes
569.5 g/mol
569.19825885 g/mol
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
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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