dicyclohexylazanium; 1-(2-methyl-3-sulfanyl-propanoyl)-5-oxidanyl-2,3-dihydroindole-2-carboxylate

Systemtic Name: dicyclohexylazanium; 1-(2-methyl-3-sulfanyl-propanoyl)-5-oxidanyl-2,3-dihydroindole-2-carboxylate Openeye Name: dicyclohexylammonium; 5-hydroxy-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylate CAS Name: dicyclohexylammonium; 5-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-2,3-dihydroindole-2-carboxylate IUPAC Name: dicyclohexylazanium; 5-hydroxy-1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylate Traditional Name: dicyclohexylammonium; 5-hydroxy-1-(3-mercapto-2-methyl-propanoyl)indoline-2-carboxylate Formula: C25H38N2O4S MolecularWeight: 462.64522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C13H15NO4S.C12H23N/c1-7(6-19)12(16)14-10-3-2-9(15)4-8(10)5-11(14)13(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-4,7,11,15,19H,5-6H2,1H3,(H,17,18);11-13H,1-10H2