dicyclohexylazanium; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: dicyclohexylazanium; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid; dicyclohexylammonium CAS Name: dicyclohexylammonium; 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: dicyclohexylazanium; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid; dicyclohexylammonium Formula: C26H43N2O4+ MolecularWeight: 447.63062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C14H19NO4.C12H23N/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);11-13H,1-10H2/p+1