(2S)-2-[[4-[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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![(2S)-2-[[4-[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f73025df21604e87b972017166e439d7.png "(2S)-2-[[4-[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid")
(2S)-2-[[4-[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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CAS No:
34522-28-6
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Formula:
C21H23N7O5
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Chemical Name:
(2S)-2-[[4-[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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Synonyms:
1-Deazamethotrexate;34522-28-6;SRI 4754;BRN 0871083;DTXSID30956046;L-Glutamic acid, N-(4-(((5,7-diaminopyrido(3,4-b)pyrazin-3-yl)methyl)methylamino)benzoyl)-;N-(p-(((5,7-Diaminopyrido(3,4-b)pyrazin-3-yl)methyl)methylamino)benzoyl)glutamic acid;(2S)-2-[[4-[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;N-(4-{[(5-Amino-7-imino-6,7-dihydropyrido[3,4-b]pyrazin-3-yl)methyl](methyl)amino}benzoyl)glutamic acid
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CAS No:
(2S)-2-[[4-[(5,7-diaminopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Basic Attributes
453.5 g/mol
453.17606686 g/mol
Computed Properties
Molecular Weight:453.5
XLogP3:-1.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:453.17606686
Monoisotopic Mass:453.17606686
Topological Polar Surface Area:198
Heavy Atom Count:33
Complexity:703
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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