2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2,2,2-tris(fluoranyl)ethanoyl]-1H-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[2,2,2-tris(fluoranyl)ethanoyl]-1H-pyrrol-2-yl]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[5-(2,2,2-trifluoroacetyl)-1H-pyrrol-2-yl]propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[5-(2,2,2-trifluoro-1-oxoethyl)-1H-pyrrol-2-yl]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-(2,2,2-trifluoroacetyl)-1H-pyrrol-2-yl]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[5-(2,2,2-trifluoroacetyl)-1H-pyrrol-2-yl]propionic acid Formula: C14H17F3N2O5 MolecularWeight: 350.29039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(N1)C(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(N1)C(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H17F3N2O5/c1-13(2,3)24-12(23)19-9(11(21)22)6-7-4-5-8(18-7)10(20)14(15,16)17/h4-5,9,18H,6H2,1-3H3,(H,19,23)(H,21,22)