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name Structure Reference Source Properties Activities Metabolism

(1S,2R,5S,6S,7R)-6-N-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

AlkaPlorer ID: AK336685

Synonym: None

IUPAC Name: (1S,2R,5S,6S,7R)-6-N-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Structure

SMILES: C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1N(CC2=CC=C(Cl)C=C2)C(=O)[C@H]2[C@H](C(=O)NC3=CC=C(Cl)C=C3)[C@H]3C=C[C@@]12O3

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InChI: InChI=1S/C31H33Cl2N3O4/c1-17-4-3-5-23(18(17)2)35-29(38)27-31-15-14-24(40-31)25(28(37)34-22-12-10-21(33)11-13-22)26(31)30(39)36(27)16-19-6-8-20(32)9-7-19/h6-15,17-18,23-27H,3-5,16H2,1-2H3,(H,34,37)(H,35,38)/t17-,18+,23+,24-,25-,26-,27+,31+/m1/s1

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InChIKey: ATJQTGHEYDPPED-WQHNKIMHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 582.5280000000001

TPSA？: 87.74000000000001

MolLogP？: 5.223600000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information