(1S,2R,5S,6S,7R)-6-N-(3-chloro-4-fluorophenyl)-2-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK337034
Synonym: None
IUPAC Name: (1S,2R,5S,6S,7R)-6-N-(3-chloro-4-fluorophenyl)-2-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: COC1=CC=C(CN2C(=O)[C@H]3[C@H](C(=O)NC4=CC=C(F)C(Cl)=C4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C=C1
InChI: InChI=1S/C32H35ClFN3O5/c1-17-5-4-6-24(18(17)2)36-30(39)28-32-14-13-25(42-32)26(29(38)35-20-9-12-23(34)22(33)15-20)27(32)31(40)37(28)16-19-7-10-21(41-3)11-8-19/h7-15,17-18,24-28H,4-6,16H2,1-3H3,(H,35,38)(H,36,39)/t17-,18-,24+,25+,26+,27+,28-,32-/m0/s1
InChIKey: AUFPXTQSOVWKHB-NYLOSDKFSA-N
Reference
Barceloneic Acid A, a New Farnesyl-Protein Transferase Inhibitor from a Phoma Species
PubChem CID: 129435036
Source
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Properties Information
Molecule Weight: 596.0990000000003
TPSA？: 96.97
MolLogP？: 4.717900000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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