(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
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![(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/92c5a93f90ec4308a9656a0bb82d37fa.png "(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid")
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
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CAS No:
127105-48-0
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Formula:
C20H22N12O3
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Chemical Name:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
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Synonyms:
gamma-tetrazole-methotrexate;MTX-tetrazole;gamma-Tetrazole-methotrexate;127105-48-0;Mtx-tetrazole;Methotrexate gamma-tetrazole;DTXSID60155404;NSC782269;NSC-782269;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid;1H-Tetrazole-5-butanoic acid, alpha-((4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)-, (S)-
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CAS No:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid Basic Attributes
478.5 g/mol
478.19378261 g/mol
DTXSID60155404
Computed Properties
Molecular Weight:478.5
XLogP3:-1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:478.19378261
Monoisotopic Mass:478.19378261
Topological Polar Surface Area:228
Heavy Atom Count:35
Complexity:724
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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