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>> N-[(2S)-3-(1,3-Benzodioxol-5-Yl)-2-(Mercaptomethyl)-1-Oxopropyl]-L-Alanine
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N-[(2S)-3-(1,3-Benzodioxol-5-Yl)-2-(Mercaptomethyl)-1-Oxopropyl]-L-Alanine [135038-59-4]
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Name |
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N-[(2S)-3-(1,3-Benzodioxol-5-Yl)-2-(Mercaptomethyl)-1-Oxopropyl]-L-Alanine |
Synonyms |
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(2R)-2-[[(2R)-2-(1,3-Benzodioxol-5-Ylmethyl)-3-Sulfanyl-Propanoyl]Amino]Propanoic Acid; (2R)-2-[[(2R)-2-(1,3-Benzodioxol-5-Ylmethyl)-3-Mercapto-1-Oxopropyl]Amino]Propanoic Acid; (2R)-2-[[(2R)-2-(1,3-Benzodioxol-5-Ylmethyl)-3-Mercapto-Propanoyl]Amino]Propionic Acid |
Molecular Formula |
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C14H17NO5S |
Molecular Weight |
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311.35 |
CAS Registry Number |
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135038-59-4 |
SMILES |
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[C@@H](C(O)=O)(NC([C@@H](CC1=CC=C2C(=C1)OCO2)CS)=O)C |
InChI |
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1S/C14H17NO5S/c1-8(14(17)18)15-13(16)10(6-21)4-9-2-3-11-12(5-9)20-7-19-11/h2-3,5,8,10,21H,4,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m1/s1 |
InChIKey |
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TXSINLUUGRGAJO-SCZZXKLOSA-N |
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Properties
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Desity |
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1.346g/cm3 (Cal.) |
Boiling point |
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580.305°C at 760 mmHg (Cal.) |
Flash point |
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304.758°C (Cal.) |
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