dicyclohexylazanium; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: dicyclohexylazanium; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoic acid; dicyclohexylammonium CAS Name: dicyclohexylammonium; (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: dicyclohexylazanium; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid; dicyclohexylammonium Formula: C22H43N2O4S+ MolecularWeight: 431.65282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)O.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)O.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C10H19NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h11-13H,1-10H2;7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/p+1/t;7-/m.0/s1