(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
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![(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a469daf3d3ac4f6990372ddcab98fc25.png "(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid")
(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
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CAS No:
120796-22-7
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Formula:
C25H32N6O13
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Chemical Name:
(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
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Synonyms:
L-Glutamic acid,N-(N-((3S,4S)-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-L-valyl)-2-(tetrahydro-3,4-dihydroxy-5-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-2-furanyl)glycyl)-,(2R-(2alpha,3beta,4beta,5alpha)); Nikkomycin pseudo-J;
- Categories:
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CAS No:
(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid Basic Attributes
624.55400
624.20273510 g/mol
Computed Properties
Molecular Weight:624.6
XLogP3:-6.9
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:13
Exact Mass:624.20273510
Monoisotopic Mass:624.20273510
Topological Polar Surface Area:320
Heavy Atom Count:44
Complexity:1170
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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