(1S,2S,5S,6S,7R)-3-[2-[butyl(methyl)amino]ethyl]-2-N-cyclohexyl-4-oxo-6-N-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK581113
Synonym: None
IUPAC Name: (1S,2S,5S,6S,7R)-3-[2-[butyl(methyl)amino]ethyl]-2-N-cyclohexyl-4-oxo-6-N-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: CCCCN(C)CCN1C(=O)[C@H]2[C@H](C(=O)NC3=CC=C(OC4=CC=CC=C4)C=C3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1
InChI: InChI=1S/C35H44N4O5/c1-3-4-21-38(2)22-23-39-31(33(41)37-24-11-7-5-8-12-24)35-20-19-28(44-35)29(30(35)34(39)42)32(40)36-25-15-17-27(18-16-25)43-26-13-9-6-10-14-26/h6,9-10,13-20,24,28-31H,3-5,7-8,11-12,21-23H2,1-2H3,(H,36,40)(H,37,41)/t28-,29-,30-,31-,35+/m1/s1
InChIKey: YJMCQCAQVHBOMO-TUMUZXABSA-N
Reference
PubChem CID: 129437293
Source
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Properties Information
Molecule Weight: 600.7599999999999
TPSA？: 100.21
MolLogP？: 4.748800000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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