frangulanine

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IUPAC Name :(2S,3S)-2-(dimethylamino)-3-methyl-N-[(2E,6S,9S,10R)-6-(2-methylpropyl)-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]pentanamide
InChI :InChI=1/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14+/t19-,22-,23-,24-,25+/m0/s1
Std.InChI: InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14+/t19-,22-,23-,24-,25+/m0/s1
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InChIKey :ULQXKOIGVXLOOC-XEUFPYNVBW
Std.InChIKey: ULQXKOIGVXLOOC-XEUFPYNVSA-N
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SMILES :CC[C@H](C)[C@@H](C(=O)N[C@H]1[C@H](OC2=CC=C(C=C2)/C=C/NC(=O)[C@@H](NC1=O)CC(C)C)C(C)C)N(C)C
Molar Refractivity :142.07 ± 0.5 cm3 (est)
Parachor :1095.2 ± 8.0 cm3 (est)
Index of Refraction :1.555 ± 0.05 (est)
Surface Tension :37.6 ± 7.0 dyne/cm (est)
Density :1.13 ± 0.1 g/cm3 (est)
Polarizability :56.32 ± 0.5 10-24cm3 (est)