(2R)-2-[1-[(2R)-2-acetamido-2-carboxyethyl]sulfanylisoindol-2-yl]-3-methylbutanoic acid
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(2R)-2-[1-[(2R)-2-acetamido-2-carboxyethyl]sulfanylisoindol-2-yl]-3-methylbutanoic acid
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CAS No:
126478-70-4
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Formula:
C18H22N2O5S
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Chemical Name:
(2R)-2-[1-[(2R)-2-acetamido-2-carboxyethyl]sulfanylisoindol-2-yl]-3-methylbutanoic acid
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Synonyms:
CMPI-AcCys;S-(2-(1-carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine;S-(2-(1-carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine, (S-(R*,S*))-isomer;126478-70-4;Cmpi-accys;DTXSID80925560;S-(2-(1-Carboxy-2-methylpropyl)isoindole-1-yl)-N-acetylcysteine;(2R)-2-[1-[(2R)-2-acetamido-2-carboxyethyl]sulfanylisoindol-2-yl]-3-methylbutanoic acid;2-[1-({2-Carboxy-2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-2H-isoindol-2-yl]-3-methylbutanoic acid
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CAS No:
(2R)-2-[1-[(2R)-2-acetamido-2-carboxyethyl]sulfanylisoindol-2-yl]-3-methylbutanoic acid Basic Attributes
378.4 g/mol
378.12494298 g/mol
Computed Properties
Molecular Weight:378.4
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:378.12494298
Monoisotopic Mass:378.12494298
Topological Polar Surface Area:134
Heavy Atom Count:26
Complexity:542
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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