(1S,2R,5R,6S,7S)-3-[(2-chlorophenyl)methyl]-2-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-N-(3,4-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK332144
Synonym: None
IUPAC Name: (1S,2R,5R,6S,7S)-3-[(2-chlorophenyl)methyl]-2-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-N-(3,4-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: CC1=CC=C(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(CC2=CC=CC=C2Cl)[C@H]4C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C=C1C
InChI: InChI=1S/C33H38ClN3O4/c1-18-12-13-23(16-20(18)3)35-30(38)27-26-14-15-33(41-26)28(27)32(40)37(17-22-9-5-6-10-24(22)34)29(33)31(39)36-25-11-7-8-19(2)21(25)4/h5-6,9-10,12-16,19,21,25-29H,7-8,11,17H2,1-4H3,(H,35,38)(H,36,39)/t19-,21+,25-,26+,27-,28+,29+,33+/m1/s1
InChIKey: AIQFPPDDIWEXHM-KRSPJCCMSA-N
Source
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Properties Information
Molecule Weight: 576.1370000000002
TPSA？: 87.74000000000001
MolLogP？: 5.187040000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
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