204195-38-0
BOC-(3S,4S)-4-AMINO-3-HYDROXY-5-(4-BENZYLOXYPHENYL)-PENTANOIC ACID
NameBOC-(3S,4S)-4-AMINO-3-HYDROXY-5-(4-BENZYLOXYPHENYL)-PENTANOIC ACID
1Identification
【Name】
BOC-(3S,4S)-4-AMINO-3-HYDROXY-5-(4-BENZYLOXYPHENYL)-PENTANOIC ACID
【CAS】
【MDL】
MFCD00270193
【English Synonyms】
【Formula】
C23 H29 N O6
【MolWeight】
415.483
【Inchi】
InChI=1S/C23H29NO6/c1-23(2,3)30-22(28)24-19(20(25)14-21(26)27)13-16-9-11-18(12-10-16)29-15-17-7-5-4-6-8-17/h4-12,19-20,25H,13-15H2,1-3H3,(H,24,28)(H,26,27)/t19-,20-/m0/s1
【InChIKey】
InChIKey=QYPPYPBSORZTKU-PMACEKPBSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OCc2ccccc2)[C@H](CC(=O)O)O
【MOL File】
BOC-(3S,4S)-4-AMINO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BOC-(3S,4S)-4-AMINO-3-HYDROXY-5-(4-BENZYLOXYPHENYL)-PENTANOIC ACID.cml