261165-03-1
(S)-N-BOC-(5-BROMO-2-METHOXYPHENYL)ALANINE
Name(S)-N-BOC-(5-BROMO-2-METHOXYPHENYL)ALANINE
1Identification
【Name】
(S)-N-BOC-(5-BROMO-2-METHOXYPHENYL)ALANINE
【CAS】
【MDL】
MFCD01320847
【English Synonyms】
【Formula】
C15 H20 Br N O5
【MolWeight】
374.229
【Inchi】
InChI=1S/C15H20BrNO5/c1-15(2,3)22-14(20)17-11(13(18)19)8-9-7-10(16)5-6-12(9)21-4/h5-7,11H,8H2,1-4H3,(H,17,20)(H,18,19)/t11-/m0/s1
【InChIKey】
InChIKey=YRKQEACMEPBJKP-NSHDSACASA-N
【SMILES】
CC(C)(C)OC(=O)N[C@@H](Cc1cc(ccc1OC)Br)C(=O)O
【MOL File】
(S)-N-BOC-(5-BROMO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(S)-N-BOC-(5-BROMO-2-METHOXYPHENYL)ALANINE.cml