190
N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE
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is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE |
Identifiers | N-[(2S,3R,5S)-1-(3-bromophenyl)-5-(4-fluorophenyl)sulfonyl-3-hydroxy-7-methyl-octan-2-yl]-2-(2,6-dimethylphenoxy)ethanamide |
Formula | C31 H37 Br F N O5 S |
Molecular Weight | 634.597 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C |
InChI | InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m0/s1 |
InChIKey | RVHWPGAHEOLZNT-YTCPBCGMSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 77 |
Chiral Atom Count | 3 |
Bond Count | 79 |
Aromatic Bond Count | 18 |
Related Resource References
Resource Name | Reference |
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PubChem | 4369495 |
ChEMBL | CHEMBL371457 |