2SW
[(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
Find entries where: 2SW
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
---|---|
Name | [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid |
Identifiers | 2-[(3R,5R,6S)-1-[(2S)-1-tert-butylsulfonylbutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxidanylidene-piperidin-3-yl]ethanoic acid |
Formula | C28 H35 Cl2 N O5 S |
Molecular Weight | 568.552 |
Type | NON-POLYMER |
Isomeric SMILES | CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl |
InChI | InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1 |
InChIKey | AXQMSOFCQLTJGV-ZJTSJXPUSA-N |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 72 |
Chiral Atom Count | 4 |
Bond Count | 74 |
Aromatic Bond Count | 12 |
Related Resource References
Resource Name | Reference |
---|---|
Pharos | CHEMBL3125527 |
PubChem | 68000593 |
ChEMBL | CHEMBL3125527 |