766536-21-4
(R)-3-PHENYL-3-([4-(4-PYRIDIN-4-YL-PHENYL)-THIOPHENE-2-CARBONYL]-AMINO)-PROPIONIC ACID
Name(R)-3-PHENYL-3-([4-(4-PYRIDIN-4-YL-PHENYL)-THIOPHENE-2-CARBONYL]-AMINO)-PROPIONIC ACID
1Identification
【Name】
(R)-3-PHENYL-3-([4-(4-PYRIDIN-4-YL-PHENYL)-THIOPHENE-2-CARBONYL]-AMINO)-PROPIONIC ACID
【CAS】
【MDL】
MFCD10565940
【English Synonyms】
【Formula】
C25 H20 N2 O3 S
【MolWeight】
428.51
【Inchi】
InChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1
【InChIKey】
InChIKey=VMTJQZUZINLEKC-JOCHJYFZSA-N
【SMILES】
c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4
【MOL File】
(R)-3-PHENYL-3-([4-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-3-PHENYL-3-([4-(4-PYRIDIN-4-YL-PHENYL)-THIOPHENE-2-CARBONYL]-AMINO)-PROPIONIC ACID.cml