IUPAC Name :[4-[[(6S,9R)-1-(benzylcarbamoyl)-9-methyl-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-yl]methyl]phenyl] dodecanoate
InChI :InChI=1/C46H56N4O5/c1-3-4-5-6-7-8-9-10-14-24-43(52)55-39-27-25-35(26-28-39)31-41-45(53)49(33-38-22-17-21-37-20-15-16-23-40(37)38)34(2)44-48(30-29-42(51)50(41)44)46(54)47-32-36-18-12-11-13-19-36/h11-13,15-23,25-28,34,41,44H,3-10,14,24,29-33H2,1-2H3,(H,47,54)/t34-,41+,44?/m1/s1
Std.InChI: InChI=1S/C46H56N4O5/c1-3-4-5-6-7-8-9-10-14-24-43(52)55-39-27-25-35(26-28-39)31-41-45(53)49(33-38-22-17-21-37-20-15-16-23-40(37)38)34(2)44-48(30-29-42(51)50(41)44)46(54)47-32-36-18-12-11-13-19-36/h11-13,15-23,25-28,34,41,44H,3-10,14,24,29-33H2,1-2H3,(H,47,54)/t34-,41+,44?/m1/s1
InChIKey :WUXZJFDQDIJBKF-GBWQGBPGBK
Std.InChIKey: WUXZJFDQDIJBKF-GBWQGBPGSA-N
SMILES :CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C[C@H]2C(=O)N([C@@H](C3N2C(=O)CCN3C(=O)NCC4=CC=CC=C4)C)CC5=CC=CC6=CC=CC=C65
Molar Refractivity :218.61 ± 0.5 cm3 (est)
Parachor :1650.5 ± 8.0 cm3 (est)
Index of Refraction :1.609 ± 0.05
(est)
Surface Tension :46.8 ± 7.0 dyne/cm (est)
Density :1.18 ± 0.1 g/cm3 (est)
Polarizability :86.66 ± 0.5 10-24cm3 (est)