(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
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![(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7d776f77289b45e89d0dd728d0e9216c.png "(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid")
(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
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CAS No:
135423-84-6
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Formula:
C23H23N7O5
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Chemical Name:
(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
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Synonyms:
10-PDAPT;10-propargyl-5-deazaaminopterin analog of folic acid;135423-84-6;10-Pdapt;10-Propargyl-5-deazaaminopterin analog of folic acid;DTXSID00929000;(S)-2-[4-[N-[[(2,4-Diaminopyrido[2,3-d]pyrimidin)-6-yl]methyl]-N-(2-propynyl)amino]benzoylamino]glutaric acid;L-Glutamic acid, N-(4-(((2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)methyl)-2-propynylamino)benzoyl)-;N-(4-{[(4-Amino-2-imino-2,3-dihydropyrido[2,3-d]pyrimidin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)glutamic acid
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CAS No:
(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Basic Attributes
477.5 g/mol
477.17606686 g/mol
Computed Properties
Molecular Weight:477.5
XLogP3:0.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:477.17606686
Monoisotopic Mass:477.17606686
Topological Polar Surface Area:198
Heavy Atom Count:35
Complexity:809
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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