ceanothine B

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IUPAC Name :(2S)-N-[(2Z,6S,9S,10R)-6-benzyl-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-1-methylpyrrolidine-2-carboxamide
InChI :InChI=1/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26+/m0/s1
Std.InChI: InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26+/m0/s1
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InChIKey :IDZLSIWTJUALRQ-DHPIXZQDBD
Std.InChIKey: IDZLSIWTJUALRQ-DHPIXZQDSA-N
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SMILES :CC(C)[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N/C=C\C2=CC=C(O1)C=C2)CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C
Molar Refractivity :142.51 ± 0.5 cm3 (est)
Parachor :1061.8 ± 8.0 cm3 (est)
Index of Refraction :1.620 ± 0.05 (est)
Surface Tension :47.0 ± 7.0 dyne/cm (est)
Density :1.24 ± 0.1 g/cm3 (est)
Polarizability :56.49 ± 0.5 10-24cm3 (est)