methyl (1S,2S,3R,4R)-2-(2-azanyl-1H-imidazol-3-ium-5-yl)-3,4-bis[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]methyl]cyclobutane-1-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: methyl (1S,2S,3R,4R)-2-(2-azanyl-1H-imidazol-3-ium-5-yl)-3,4-bis[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]methyl]cyclobutane-1-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: methyl (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-3-ium-5-yl)-3,4-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutanecarboxylate; 2,2,2-trifluoroacetate CAS Name: (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-3-ium-5-yl)-3,4-bis[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]-1-cyclobutanecarboxylic acid methyl ester; 2,2,2-trifluoroacetate IUPAC Name: methyl (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-3-ium-5-yl)-3,4-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylate; 2,2,2-trifluoroacetate Traditional Name: (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-3-ium-5-yl)-3,4-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutanecarboxylic acid methyl ester; 2,2,2-trifluoroacetate Formula: C23H24Br2F3N7O6 MolecularWeight: 711.28317

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C1C2=C[NH+]=C(N2)N)CNC(=O)C3=CC(=CN3)Br)CNC(=O)C4=CC(=CN4)Br.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)[C@H]1[C@@H]([C@H]([C@@H]1C2=C[NH+]=C(N2)N)CNC(=O)C3=CC(=CN3)Br)CNC(=O)C4=CC(=CN4)Br.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C21H23Br2N7O4.C2HF3O2/c1-34-20(33)17-12(7-28-19(32)14-3-10(23)5-26-14)11(16(17)15-8-29-21(24)30-15)6-27-18(31)13-2-9(22)4-25-13;3-2(4,5)1(6)7/h2-5,8,11-12,16-17,25-26H,6-7H2,1H3,(H,27,31)(H,28,32)(H3,24,29,30);(H,6,7)/t11-,12-,16-,17+;/m1./s1