adouetine X

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IUPAC Name :(2S)-N-[(2Z,6S,9S,10S)-6-[(2S)-butan-2-yl]-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-4-methylpentanamide
InChI :InChI=1/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22-,23-,24-,25-/m0/s1
Std.InChI: InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22-,23-,24-,25-/m0/s1
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InChIKey :OMVRKRVDDRUXPW-RJJCKBEYBX
Std.InChIKey: OMVRKRVDDRUXPW-RJJCKBEYSA-N
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SMILES :CC[C@H](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](CC(C)C)N(C)C)C(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)