CPS
3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
Find entries where: CPS
is present as a standalone ligand in 100 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries
Chemical Component Summary | |
|---|---|
| Name | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE |
| Synonyms | CHAPS |
| Identifiers | 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate |
| Formula | C32 H58 N2 O7 S |
| Molecular Weight | 614.877 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChI | InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 |
| InChIKey | UMCMPZBLKLEWAF-BCTGSCMUSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 100 |
| Chiral Atom Count | 11 |
| Bond Count | 103 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 107670 |
| ChEMBL | CHEMBL450950 |
| ChEBI | CHEBI:1418 |
