CAS | 159453-24-4 |
Structure | |
Synonyms | (R)-2-(((Benzyloxy)carbonyl)aMino)-3-(phenylthio)propanoic acid |
IUPAC Name | (2R)-2-(phenylmethoxycarbonylamino)-3-phenylsulfanylpropanoic acid |
Molecular Weight | 331.39 |
Molecular Formula | C17H17NO4S |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CSC2=CC=CC=C2)C(=O)O |
InChI | InChI=1S/C17H17NO4S/c19-16(20)15(12-23-14-9-5-2-6-10-14)18-17(21)22-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1 |
InChI Key | ISBOGFMUFMJWEP-HNNXBMFYSA-N |
Boiling Point | 547.5±50.0 °C |
Melting Point | 94-97 °C (lit.) |
Purity | 98% |
Density | 1.26 g/ml |
Refractive Index | -55 ° (C=2, EtOH) |
pKa | 3.48±0.10 |
Appearance | White powder |
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