(2R)-2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
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![(2R)-2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5ff87f880c2641c592916487343f3af8.png "(2R)-2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid")
(2R)-2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
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CAS No:
13147-34-7
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Formula:
C12H22N2O6S
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Chemical Name:
(2R)-2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
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Synonyms:
pantothenoylcysteine;D-Pantothenoyl-L-cysteine;N-((R)-Pantothenoyl)-L-cysteine;UNII-8VL63G723P;8VL63G723P;N-[(R)-pantothenoyl]-L-cysteine;N-Pantothenoylcysteine;(3-((R)-2,4-dihydroxy-3,3-dimethylbutanamido)propanoyl)-L-cysteine;13147-34-7;Pantothenylcystein;N-Pantothenoylcystein;C04079;SCHEMBL1533858;CHEBI:18416;Cysteine, N-D-pantothenoyl-, L-;Q27103065;L-Cysteine, (2R)-2,4-dihydroxy-3,3-dimethylbutanoyl-beta-alanyl-;L-Cysteine, N-((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanyl-;N-{N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}-L-cysteine;N-[3-[[(2R)-2,4-Dihydroxy-3,3-dimethylbutyryl]amino]propionyl]-L-cysteine;(2R)-2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-3-sulfanylpropanoic acid
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CAS No:
Description
Solid
N-[(R)-pantothenoyl]-L-cysteine is a L-cysteine derivative. It has a role as a mouse metabolite. It is a conjugate acid of a N-[(R)-pantothenoyl]-L-cysteinate.
(2R)-2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid Basic Attributes
322.38 g/mol
322.11985760 g/mol
8VL63G723P
Computed Properties
Molecular Weight:322.38
XLogP3:-1.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:322.11985760
Monoisotopic Mass:322.11985760
Topological Polar Surface Area:137
Heavy Atom Count:21
Complexity:388
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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