(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[2,2,2-tris(fluoranyl)-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[2,2,2-tris(fluoranyl)-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoic acid Openeye Name: (2S)-3-[1-[1-(benzyloxycarbonylamino)-2,2,2-trifluoro-ethyl]imidazol-4-yl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[1-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]-4-imidazolyl]propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoic acid Traditional Name: (2S)-3-[1-[1-(benzyloxycarbonylamino)-2,2,2-trifluoro-ethyl]imidazol-4-yl]-2-(tert-butoxycarbonylamino)propionic acid Formula: C21H25F3N4O6 MolecularWeight: 486.44161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(C(F)(F)F)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(C(F)(F)F)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25F3N4O6/c1-20(2,3)34-19(32)26-15(16(29)30)9-14-10-28(12-25-14)17(21(22,23)24)27-18(31)33-11-13-7-5-4-6-8-13/h4-8,10,12,15,17H,9,11H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)/t15-,17?/m0/s1