[(2R)-3-[2-carboxyethyl(ethyl)amino]-2-(phenylmethoxycarbonylamino)propyl]-methyl-azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2R)-3-[2-carboxyethyl(ethyl)amino]-2-(phenylmethoxycarbonylamino)propyl]-methyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(2R)-2-(benzyloxycarbonylamino)-3-[2-carboxyethyl(ethyl)amino]propyl]-methyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [(2R)-3-[2-carboxyethyl(ethyl)amino]-2-(phenylmethoxycarbonylamino)propyl]-methylammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2R)-3-[2-carboxyethyl(ethyl)amino]-2-(phenylmethoxycarbonylamino)propyl]-methylazanium; 2,2,2-trifluoroacetate Traditional Name: [(2R)-2-(benzyloxycarbonylamino)-3-[2-carboxyethyl(ethyl)amino]propyl]-methyl-ammonium; 2,2,2-trifluoroacetate Formula: C19H28F3N3O6 MolecularWeight: 451.43733

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)CC(C[NH2+]C)NC(=O)OCC1=CC=CC=C1.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCN(CCC(=O)O)C[C@@H](C[NH2+]C)NC(=O)OCC1=CC=CC=C1.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C17H27N3O4.C2HF3O2/c1-3-20(10-9-16(21)22)12-15(11-18-2)19-17(23)24-13-14-7-5-4-6-8-14;3-2(4,5)1(6)7/h4-8,15,18H,3,9-13H2,1-2H3,(H,19,23)(H,21,22);(H,6,7)/t15-;/m1./s1