(3R,4R,5S)-ethyl 4-acetamido-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate

Chemical Properties

Boiling point	527.1±50.0 °C(Predicted)
Density	1.04±0.1 g/cm3(Predicted)
pka	14.66±0.70(Predicted)
InChI	InChI=1S/C22H36N2O4/c1-7-12-24(13-8-2)19-14-17(22(26)27-11-5)15-20(21(19)23-16(6)25)28-18(9-3)10-4/h7-8,15,18-21H,1-2,9-14H2,3-6H3,(H,23,25)/t19-,20+,21+/m0/s1
InChIKey	UFUJITNCLJSDST-PWRODBHTSA-N
SMILES	C1(C(OCC)=O)C[C@H](N(CC=C)CC=C)[C@@H](NC(C)=O)[C@H](OC(CC)CC)C=1