119771-23-2
(S)-BOC-ALANYLPHENYL-4-BORONIC ACID
Name(S)-BOC-ALANYLPHENYL-4-BORONIC ACID
1Identification
【Name】
(S)-BOC-ALANYLPHENYL-4-BORONIC ACID
【CAS】
【MDL】
MFCD01860642
【English Synonyms】
【Formula】
C14 H20 B N O6
【MolWeight】
309.124
【Inchi】
InChI=1S/C14H20BNO6/c1-14(2,3)22-13(19)16-11(12(17)18)8-9-4-6-10(7-5-9)15(20)21/h4-7,11,20-21H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
【InChIKey】
InChIKey=SGRRXMOSJYUMBY-NSHDSACASA-N
【SMILES】
B(c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(O)O
【MOL File】
(S)-BOC-ALANYLPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(S)-BOC-ALANYLPHENYL-4-BORONIC ACID.cml