calcium 1-(3-cyclohexylcarbonylsulfanyl-2-methyl-propanoyl)-4-cyclohexylsulfanyl-pyrrolidine-2-carboxylate

Systemtic Name: calcium 1-(3-cyclohexylcarbonylsulfanyl-2-methyl-propanoyl)-4-cyclohexylsulfanyl-pyrrolidine-2-carboxylate Openeye Name: calcium 1-[3-(cyclohexanecarbonylsulfanyl)-2-methyl-propanoyl]-4-cyclohexylsulfanyl-pyrrolidine-2-carboxylate CAS Name: calcium 1-[3-[[cyclohexyl(oxo)methyl]thio]-2-methyl-1-oxopropyl]-4-(cyclohexylthio)-2-pyrrolidinecarboxylate IUPAC Name: calcium 1-[3-(cyclohexanecarbonylsulfanyl)-2-methylpropanoyl]-4-cyclohexylsulfanylpyrrolidine-2-carboxylate Traditional Name: calcium 1-[3-(cyclohexanecarbonylthio)-2-methyl-propanoyl]-4-(cyclohexylthio)pyrrolidine-2-carboxylate Formula: C44H68CaN2O8S4 MolecularWeight: 921.35732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1CCCCC1)C(=O)N2CC(CC2C(=O)[O-])SC3CCCCC3.CC(CSC(=O)C1CCCCC1)C(=O)N2CC(CC2C(=O)[O-])SC3CCCCC3.[Ca+2]

Isomeric SMILES

CC(CSC(=O)C1CCCCC1)C(=O)N2CC(CC2C(=O)[O-])SC3CCCCC3.CC(CSC(=O)C1CCCCC1)C(=O)N2CC(CC2C(=O)[O-])SC3CCCCC3.[Ca+2]

InChI

InChI=1S/2C22H35NO4S2.Ca/c2*1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17;/h2*15-19H,2-14H2,1H3,(H,25,26);/q;;+2/p-2