Synonyms: Z 360 | Z360
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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9
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Hydrogen bond donors
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3
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Rotatable bonds
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9
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Topological polar surface area
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119.05
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Molecular weight
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520.27
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XLogP
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4.28
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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O=C(NC1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O
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Isomeric SMILES
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O=C(N[C@@H]1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O
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InChI
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InChI=1S/C29H36N4O5/c1-29(2,3)25(34)18-33-24-15-8-7-14-23(24)32(21-12-5-4-6-13-21)17-22(26(33)35)31-28(38)30-20-11-9-10-19(16-20)27(36)37/h7-11,14-16,21-22H,4-6,12-13,17-18H2,1-3H3,(H,36,37)(H2,30,31,38)/t22-/m1/s1
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InChI Key
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VIJCCFFEBCOOIE-JOCHJYFZSA-N
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