866109-65-1
(2S)-3-[4-(2,6-DIMETHOXYPHENYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID
Name(2S)-3-[4-(2,6-DIMETHOXYPHENYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID
1Identification
【Name】
(2S)-3-[4-(2,6-DIMETHOXYPHENYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID
【CAS】
【MDL】
MFCD09264362
【English Synonyms】
【Formula】
C22 H27 N O6
【MolWeight】
401.456
【Inchi】
InChI=1S/C22H27NO6/c1-22(2,3)29-21(26)23-16(20(24)25)13-14-9-11-15(12-10-14)19-17(27-4)7-6-8-18(19)28-5/h6-12,16H,13H2,1-5H3,(H,23,26)(H,24,25)/t16-/m0/s1
【InChIKey】
InChIKey=QGSYEKGUJJSODB-INIZCTEOSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)c2c(cccc2OC)OC)C(=O)O
【MOL File】
(2S)-3-[4-(2,6-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(2S)-3-[4-(2,6-DIMETHOXYPHENYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID.cml