951174-17-7
3-(S)-[BENZYL-(1-(S)-PHENYL-ETHYL)-AMINO]-5-METHYL-HEXANOIC ACID TERT-BUTYL ESTER
Name3-(S)-[BENZYL-(1-(S)-PHENYL-ETHYL)-AMINO]-5-METHYL-HEXANOIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-(S)-[BENZYL-(1-(S)-PHENYL-ETHYL)-AMINO]-5-METHYL-HEXANOIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD12546642
【English Synonyms】
【Formula】
C26 H37 N O2
【MolWeight】
395.583
【Inchi】
InChI=1S/C26H37NO2/c1-20(2)17-24(18-25(28)29-26(4,5)6)27(19-22-13-9-7-10-14-22)21(3)23-15-11-8-12-16-23/h7-16,20-21,24H,17-19H2,1-6H3/t21-,24-/m0/s1
【InChIKey】
InChIKey=HCSHPKOGUQHHSK-URXFXBBRSA-N
【SMILES】
CC(C)C[C@@H](CC(=O)OC(C)(C)C)N(Cc1ccccc1)[C@@H](C)c2ccccc2
【MOL File】
3-(S)-[BENZYL-(1-(S)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(S)-[BENZYL-(1-(S)-PHENYL-ETHYL)-AMINO]-5-METHYL-HEXANOIC ACID TERT-BUTYL ESTER.cml