116112-80-2

Name (S)-3-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)propanoic acid
CAS 116112-80-2
Molecular Formula C18H26O12
Molecular Weight 434.39
MOL File 116112-80-2.mol
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Chemical Properties

Boiling point  534.9±50.0 °C(Predicted)
density  1.32±0.1 g/cm3(Predicted)
pka 4.61±0.10(Predicted)
InChI InChI=1/C18H26O12/c1-9(19)26-8-13-15(27-10(2)20)16(28-11(3)21)17(29-12(4)22)18(30-13)25-7-5-6-14(23)24/h13,15-18H,5-8H2,1-4H3,(H,23,24)/t13-,15+,16+,17-,18-/s3
InChIKey YWFYYAPQJAVDIL-NGHDZHTCNA-N
SMILES O([C@@H]1[C@H]([C@H](OCCCC(=O)O)O[C@H](COC(=O)C)[C@@H]1OC(=O)C)OC(=O)C)C(=O)C |&1:1,2,3,12,18,r|

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