dicyclohexylazanium; 3-(3-oxidanylpropylsulfanyl)-2-(2,2,2-trideuterioethanoylamino)propanoate

Systemtic Name: dicyclohexylazanium; 3-(3-oxidanylpropylsulfanyl)-2-(2,2,2-trideuterioethanoylamino)propanoate Openeye Name: dicyclohexylammonium; 3-(3-hydroxypropylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoate CAS Name: dicyclohexylammonium; 3-(3-hydroxypropylthio)-2-[(2,2,2-trideuterio-1-oxoethyl)amino]propanoate IUPAC Name: dicyclohexylazanium; 3-(3-hydroxypropylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoate Traditional Name: dicyclohexylammonium; 3-(3-hydroxypropylthio)-2-[(2,2,2-trideuterioacetyl)amino]propionate Formula: C20H38N2O4S MolecularWeight: 405.610205

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCCCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

[2H]C([2H])([2H])C(=O)NC(CSCCCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C8H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(11)9-7(8(12)13)5-14-4-2-3-10/h11-13H,1-10H2;7,10H,2-5H2,1H3,(H,9,11)(H,12,13)/i;1D3