hordatine A

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IUPAC Name :(2S,3S)-N-[4-(diaminomethylideneamino)butyl]-5-[(E)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
InChI :InChI=1/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m0/s1
Std.InChI: InChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m0/s1
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InChIKey :KVYNYRIOAYQBFK-AIIPJEMGBD
Std.InChIKey: KVYNYRIOAYQBFK-AIIPJEMGSA-N
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SMILES :C1=CC(=CC=C1[C@@H]2[C@H](C3=C(O2)C=CC(=C3)/C=C/C(=O)NCCCCN=C(N)N)C(=O)NCCCCN=C(N)N)O
Molar Refractivity :147.76 ± 0.5 cm3 (est)
Parachor :1114.9 ± 8.0 cm3 (est)
Index of Refraction :1.657 ± 0.05 (est)
Surface Tension :59.5 ± 7.0 dyne/cm (est)
Density :1.37 ± 0.1 g/cm3 (est)
Polarizability :58.57 ± 0.5 10-24cm3 (est)