190078-50-3
N-ACETYL-O-PHOSPHONO-TYR-GLU DIPENTYLAMIDE
NameN-ACETYL-O-PHOSPHONO-TYR-GLU DIPENTYLAMIDE
1Identification
【Name】
N-ACETYL-O-PHOSPHONO-TYR-GLU DIPENTYLAMIDE
【CAS】
【MDL】
MFCD02181009
【English Synonyms】
【Formula】
C26 H42 N3 O9 P
【MolWeight】
571.604
【Inchi】
InChI=1S/C26H42N3O9P/c1-4-6-8-16-29(17-9-7-5-2)26(34)22(14-15-24(31)32)28-25(33)23(27-19(3)30)18-20-10-12-21(13-11-20)38-39(35,36)37/h10-13,22-23H,4-9,14-18H2,1-3H3,(H,27,30)(H,28,33)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1
【InChIKey】
InChIKey=LMADZBIAOYLZDD-GOTSBHOMSA-N
【SMILES】
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)NC(=O)C
【MOL File】
N-ACETYL-O-PHOSPHONO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:12
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
N-ACETYL-O-PHOSPHONO-TYR-GLU DIPENTYLAMIDE.cml