Products 121673-00-5

CAS 121673-00-5 is the registry number for Cyclosporin A Sulfate. Offered by: TRC. Available pack sizes: 2,5mg.

Structural formula: {0} (CAS {1})

Cyclosporin A hydrogen sulfate is a cyclosporin A derivative that is cyclosporin A in which the hydroxy group at the MeBmt (butenylmethylthreonine) amino acid is replaced by a sulfooxy group. It is a cyclosporin A derivative and an organic sulfate. It is a conjugate acid of a cyclosporin A sulfate.

Source: ChEBI

Identity
Molecular formulaC62H111N11O15S
Molecular weight1282.7 g/mol
IUPAC name[(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] hydrogen sulfate
InChIKeyCQDXGGWUGMQJHS-CGLBZJNRSA-N
SMILESCC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)OS(=O)(=O)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

Computed by PubChem (NCBI)