919529-74-1
BOC-D-2-AMINO-5-PHENYL-PENTANOIC ACID DCHA SALT
NameBOC-D-2-AMINO-5-PHENYL-PENTANOIC ACID DCHA SALT
FormulaC16 H23 N O4 . C12 H23 N
1Identification
【Name】
BOC-D-2-AMINO-5-PHENYL-PENTANOIC ACID DCHA SALT
【CAS】
【MDL】
MFCD04117837
【English Synonyms】
【Formula】
C16 H23 N O4 . C12 H23 N
【MolWeight】
474.681
【Inchi】
InChI=1S/C16H23NO4.C12H23N/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,20)(H,18,19);11-13H,1-10H2/t13-;/m1./s1
【InChIKey】
InChIKey=WTRAZOVTEAIRDM-BTQNPOSSSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H](CCCc1ccccc1)C(=O)O.C1CCC(CC1)NC2CCCCC2
【MOL File】
BOC-D-2-AMINO-5-PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
BOC-D-2-AMINO-5-PHENYL-PENTANOIC ACID DCHA SALT.cml