(-)-ochratoxin A

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IUPAC Name :(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
InChI :InChI=1/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
Std.InChI: InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
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InChIKey :RWQKHEORZBHNRI-BMIGLBTABQ
Std.InChIKey: RWQKHEORZBHNRI-BMIGLBTASA-N
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SMILES :C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl
MDL: MFCD00078079
Molar Refractivity :100.19 ± 0.5 cm3 (est)
Parachor :750.7 ± 8.0 cm3 (est)
Index of Refraction :1.649 ± 0.05 (est)
Surface Tension :55.6 ± 7.0 dyne/cm (est)
Density :1.46 ± 0.1 g/cm3 (est)
Polarizability :39.71 ± 0.5 10-24cm3 (est)