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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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12
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Hydrogen bond donors
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2
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Rotatable bonds
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17
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Topological polar surface area
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169.08
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Molecular weight
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599.26
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XLogP
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2.01
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No. Lipinski's rules broken
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2
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O
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Isomeric SMILES
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CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O
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InChI
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InChI=1S/C29H37N5O9/c1-3-41-27(39)29(13-8-14-29)43-23-19-22(31-34(23)20-9-6-5-7-10-20)25(37)30-21(11-12-24(35)36)26(38)32-15-17-33(18-16-32)28(40)42-4-2/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H,30,37)(H,35,36)/t21-/m0/s1
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InChI Key
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HPSHQEAEJMOGDO-NRFANRHFSA-N
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