(4S)-5-amino-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
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![(4S)-5-amino-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/38d2db09f6b447cb808700c3065b1815.png "(4S)-5-amino-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid")
(4S)-5-amino-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
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CAS No:
71074-47-0
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Formula:
C20H23N9O4
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Chemical Name:
(4S)-5-amino-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
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Synonyms:
methotrexate-alpha-monoamide;N-(N'-(2,4-diamino-6-pteridinyl)methyl-N'-methyl-4-aminobenzoyl)-L-isoglutamine;71074-47-0;Methotrexate-alpha-monoamide;SCHEMBL18689531;DTXSID30991356;NSC281287;NSC-281287;N-(N'-(2,4-Diamino-6-pteridinyl)methyl-N'-methyl-4-aminobenzoyl)-L-isoglutamine;Pentanoic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]amino]-5-oxo-, (S)-;4-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzamido)-5-hydroxy-5-iminopentanoic acid;Pentanoic acid, 5-amino-4-((4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)-5-oxo-, (S)-
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CAS No:
(4S)-5-amino-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid Basic Attributes
453.5 g/mol
453.18730025 g/mol
281287
Computed Properties
Molecular Weight:453.5
XLogP3:-2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:453.18730025
Monoisotopic Mass:453.18730025
Topological Polar Surface Area:216
Heavy Atom Count:33
Complexity:703
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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