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1356020-01-3

Name (4S)-2-[[[(2R)-2-AMino-2-(4-hydroxyphenyl)acetyl]aMino]Methyl]-5,5-diMethyl-4-thiazolidinecarboxylic Acid (Mixture of DiastereoMers)
CAS 1356020-01-3
Molecular Formula C15H21N3O4S
MDL Number MFCD18379169
Molecular Weight 339.41
MOL File 1356020-01-3.mol

Chemical Properties

Melting point  >177°C (dec.)
Boiling point  664.4±55.0 °C(Predicted)
density  1.313±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  Methanol (Slightly), Water (Slightly)
form  Solid
pka 2.00±0.60(Predicted)
color  Off-White to Light Yellow
InChI InChI=1S/C15H21N3O4S/c1-15(2)12(14(21)22)18-10(23-15)7-17-13(20)11(16)8-3-5-9(19)6-4-8/h3-6,10-12,18-19H,7,16H2,1-2H3,(H,17,20)(H,21,22)/t10?,11-,12+/m1/s1
InChIKey HLJHSXSJKLJNKE-SAIIYOCFSA-N
SMILES S1C(C)(C)[C@H](C(O)=O)NC1CNC([C@H](N)C1=CC=C(O)C=C1)=O

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