IUPAC Name :(3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-3-(2-hydroxy-2-methylpropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
InChI :InChI=1/C30H51N5O8/c1-10-18(4)23-28(40)34(9)24(17(2)3)29(41)33(8)19(5)25(37)31-14-13-22(36)43-21(16-30(6,7)42)27(39)35-15-11-12-20(35)26(38)32-23/h17-21,23-24,42H,10-16H2,1-9H3,(H,31,37)(H,32,38)/t18-,19-,20-,21+,23-,24-/m0/s1
Std.InChI: InChI=1S/C30H51N5O8/c1-10-18(4)23-28(40)34(9)24(17(2)3)29(41)33(8)19(5)25(37)31-14-13-22(36)43-21(16-30(6,7)42)27(39)35-15-11-12-20(35)26(38)32-23/h17-21,23-24,42H,10-16H2,1-9H3,(H,31,37)(H,32,38)/t18-,19-,20-,21+,23-,24-/m0/s1
InChIKey :COCZASXGUADHMT-OCCJOITDBA
Std.InChIKey: COCZASXGUADHMT-OCCJOITDSA-N
SMILES :CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(C)(C)O)C)C)C(C)C)C
Molar Refractivity :159.90 ± 0.5 cm3 (est)
Parachor :1251.0 ± 8.0 cm3 (est)
Index of Refraction :1.574 ± 0.05
(est)
Surface Tension :44.5 ± 7.0 dyne/cm (est)
Density :1.25 ± 0.1 g/cm3 (est)
Polarizability :63.39 ± 0.5 10-24cm3 (est)