(1R,2S,5S,6R,7R)-6-N-(3-methoxyphenyl)-3-(3-methylbutyl)-2-N-[(1S,2S)-2-methylcyclohexyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK331527
Synonym: None
IUPAC Name: (1R,2S,5S,6R,7R)-6-N-(3-methoxyphenyl)-3-(3-methylbutyl)-2-N-[(1S,2S)-2-methylcyclohexyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: COC1=CC=CC(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@H]2C(=O)N(CCC(C)C)[C@@H]4C(=O)N[C@H]2CCCC[C@@H]2C)=C1
InChI: InChI=1S/C29H39N3O5/c1-17(2)13-15-32-25(27(34)31-21-11-6-5-8-18(21)3)29-14-12-22(37-29)23(24(29)28(32)35)26(33)30-19-9-7-10-20(16-19)36-4/h7,9-10,12,14,16-18,21-25H,5-6,8,11,13,15H2,1-4H3,(H,30,33)(H,31,34)/t18-,21-,22+,23-,24+,25+,29+/m0/s1
InChIKey: AHCXNVZXETWIAU-CVELTAIOSA-N
Reference
PubChem CID: 129434952
Source
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Properties Information
Molecule Weight: 509.6470000000004
TPSA？: 96.97
MolLogP？: 3.525300000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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