IUPAC Name :(2S)-2-(dimethylamino)-N-[(2E,6S,9S,10R)-6-(2-methylpropyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenylpropanamide
InChI :InChI=1/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19+/t28-,29-,30-,31+/m0/s1
Std.InChI: InChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19+/t28-,29-,30-,31+/m0/s1
InChIKey :KCFAADIKGBVBFW-QGVLKUDQBL
Std.InChIKey: KCFAADIKGBVBFW-QGVLKUDQSA-N
SMILES :CC(C)C[C@H]1C(=O)N/C=C/C2=CC=C(C=C2)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@H](CC3=CC=CC=C3)N(C)C)C4=CC=CC=C4
Molar Refractivity :165.37 ± 0.5 cm3 (est)
Parachor :1247.4 ± 8.0 cm3 (est)
Index of Refraction :1.598 ± 0.05
(est)
Surface Tension :43.8 ± 7.0 dyne/cm (est)
Density :1.17 ± 0.1 g/cm3 (est)
Polarizability :65.55 ± 0.5 10-24cm3 (est)