71455-69-1
N-(N-(3,4,5-TRIMETHOXYBENZOYL)-4-(2,6-DIMETHYLANILINO)BUTYRYL)-4-AMINO BUTYRIC ACID
NameN-(N-(3,4,5-TRIMETHOXYBENZOYL)-4-(2,6-DIMETHYLANILINO)BUTYRYL)-4-AMINO BUTYRIC ACID
1Identification
【Name】
N-(N-(3,4,5-TRIMETHOXYBENZOYL)-4-(2,6-DIMETHYLANILINO)BUTYRYL)-4-AMINO BUTYRIC ACID
【CAS】
【MDL】
MFCD01751645
【English Synonyms】
【Formula】
C26 H34 N2 O7
【MolWeight】
486.562
【Inchi】
InChI=1S/C26H34N2O7/c1-17-9-6-10-18(2)24(17)28(14-8-11-22(29)27-13-7-12-23(30)31)26(32)19-15-20(33-3)25(35-5)21(16-19)34-4/h6,9-10,15-16H,7-8,11-14H2,1-5H3,(H,27,29)(H,30,31)
【InChIKey】
InChIKey=WERXNDIDOBSEFG-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1N(CCCC(=O)NCCCC(=O)O)C(=O)c2cc(c(c(c2)OC)OC)OC)C
【MOL File】
N-(N-(3,4,5-TRIMETHO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(N-(3,4,5-TRIMETHOXYBENZOYL)-4-(2,6-DIMETHYLANILINO)BUTYRYL)-4-AMINO BUTYRIC ACID.cml