1899085-73-4
N-[(S)-5-Amino-6-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-6-oxohexyl]tetradecanamide
NameN-[(S)-5-Amino-6-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-6-oxohexyl]tetradecanamide
1Identification
【Name】
N-[(S)-5-Amino-6-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-6-oxohexyl]tetradecanamide
【CAS】
【MDL】
【English Synonyms】
【Formula】
C30H47N3O4
【MolWeight】
513.7119
【Inchi】
InChI=1S/C30H47N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-28(34)32-20-15-14-16-26(31)30(36)33-24-18-19-25-23(2)21-29(35)37-27(25)22-24/h18-19,21-22,26H,3-17,20,31H2,1-2H3,(H,32,34)(H,33,36)/t26-/m0/s1
【InChIKey】
InChIKey=YYDYKCSVBYYDCS-SANMLTNESA-N
【SMILES】
N[C@@H](CCCCNC(CCCCCCCCCCCCC)=O)C(=O)NC1=CC2=C(C(=CC(O2)=O)C)C=C1
【MOL File】
N-[(S)-5-Amino-6-[(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
N-[(S)-5-Amino-6-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-6-oxohexyl]tetradecanamide.cml