[(2R,3S)-1-(2-methoxyphenyl)-4-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2R,3S)-1-(2-methoxyphenyl)-4-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-butan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1R,2S)-3-[[(1S)-1-carboxy-3-methyl-butyl]amino]-2-hydroxy-1-[(2-methoxyphenyl)methyl]-3-oxo-propyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2R,3S)-3-hydroxy-4-[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-(2-methoxyphenyl)-4-oxobutan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2R,3S)-3-hydroxy-4-[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-(2-methoxyphenyl)-4-oxobutan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1R,2S)-3-[[(1S)-1-carboxy-3-methyl-butyl]amino]-2-hydroxy-3-keto-1-o-anisyl-propyl]ammonium; 2,2,2-trifluoroacetate Formula: C19H27F3N2O7 MolecularWeight: 452.42209

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1OC)[NH3+])O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1OC)[NH3+])O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C17H26N2O5.C2HF3O2/c1-10(2)8-13(17(22)23)19-16(21)15(20)12(18)9-11-6-4-5-7-14(11)24-3;3-2(4,5)1(6)7/h4-7,10,12-13,15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23);(H,6,7)/t12-,13+,15+;/m1./s1