dicyclohexylazanium; (2R)-3-(4-oxidanylbutan-2-ylsulfanyl)-2-(2,2,2-trideuterioethanoylamino)propanoate

Systemtic Name: dicyclohexylazanium; (2R)-3-(4-oxidanylbutan-2-ylsulfanyl)-2-(2,2,2-trideuterioethanoylamino)propanoate Openeye Name: dicyclohexylammonium; (2R)-3-(3-hydroxy-1-methyl-propyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoate CAS Name: dicyclohexylammonium; (2R)-3-(4-hydroxybutan-2-ylthio)-2-[(2,2,2-trideuterio-1-oxoethyl)amino]propanoate IUPAC Name: dicyclohexylazanium; (2R)-3-(4-hydroxybutan-2-ylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoate Traditional Name: dicyclohexylammonium; (2R)-3-[(3-hydroxy-1-methyl-propyl)thio]-2-[(2,2,2-trideuterioacetyl)amino]propionate Formula: C21H40N2O4S MolecularWeight: 419.636785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])([2H])C(=O)N[C@@H](CSC(C)CCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C9H17NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(3-4-11)15-5-8(9(13)14)10-7(2)12/h11-13H,1-10H2;6,8,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t;6?,8-/m.0/s1/i;2D3