hordatine B

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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)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
InChI :InChI=1/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6+/t24-,25+/m0/s1
Std.InChI: InChI=1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6+/t24-,25+/m0/s1
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InChIKey :LRLXAXGCQUOKIO-LHYVIZPNBZ
Std.InChIKey: LRLXAXGCQUOKIO-LHYVIZPNSA-N
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SMILES :COC1=CC(=CC2=C1O[C@@H]([C@H]2C(=O)NCCCCN=C(N)N)C3=CC=C(C=C3)O)/C=C/C(=O)NCCCCN=C(N)N
Molar Refractivity :153.58 ± 0.5 cm3 (est)
Parachor :1165.1 ± 8.0 cm3 (est)
Index of Refraction :1.646 ± 0.05 (est)
Surface Tension :57.6 ± 7.0 dyne/cm (est)
Density :1.37 ± 0.1 g/cm3 (est)
Polarizability :60.88 ± 0.5 10-24cm3 (est)