4-azanyl-1-[ethyl(propan-2-yl)carbamoyl]-5-[[2,2,2-tris(fluoranyl)ethanoylamino]methyl]pyrrole-3-carboxylic acid

Systemtic Name: 4-azanyl-1-[ethyl(propan-2-yl)carbamoyl]-5-[[2,2,2-tris(fluoranyl)ethanoylamino]methyl]pyrrole-3-carboxylic acid Openeye Name: 4-amino-1-[ethyl(isopropyl)carbamoyl]-5-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrole-3-carboxylic acid CAS Name: 4-amino-1-[[ethyl(propan-2-yl)amino]-oxomethyl]-5-[[(2,2,2-trifluoro-1-oxoethyl)amino]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-amino-1-[ethyl(propan-2-yl)carbamoyl]-5-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrole-3-carboxylic acid Traditional Name: 4-amino-1-[ethyl(isopropyl)carbamoyl]-5-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C14H19F3N4O4 MolecularWeight: 364.32027

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C)C(=O)N1C=C(C(=C1CNC(=O)C(F)(F)F)N)C(=O)O

Isomeric SMILES

CCN(C(C)C)C(=O)N1C=C(C(=C1CNC(=O)C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C14H19F3N4O4/c1-4-20(7(2)3)13(25)21-6-8(11(22)23)10(18)9(21)5-19-12(24)14(15,16)17/h6-7H,4-5,18H2,1-3H3,(H,19,24)(H,22,23)