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

Systemtic Name: (1S,2S,3R,4R)-2-(2-azanyl-1H-imidazol-5-yl)-3,4-bis[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]methyl]cyclobutane-1-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-5-yl)-3,4-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutanecarboxylic acid; 2,2,2-trifluoroacetic acid CAS Name: (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-5-yl)-3,4-bis[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]-1-cyclobutanecarboxylic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-5-yl)-3,4-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid; 2,2,2-trifluoroacetic acid Traditional Name: (1S,2S,3R,4R)-2-(2-amino-1H-imidazol-5-yl)-3,4-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutanecarboxylic acid; 2,2,2-trifluoroacetic acid Formula: C22H22Br2F3N7O6 MolecularWeight: 697.25659

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1Br)C(=O)NCC2C(C(C2C3=CN=C(N3)N)C(=O)O)CNC(=O)C4=CC(=CN4)Br.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=C(NC=C1Br)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H]2C3=CN=C(N3)N)C(=O)O)CNC(=O)C4=CC(=CN4)Br.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H21Br2N7O4.C2HF3O2/c21-8-1-12(24-3-8)17(30)26-5-10-11(6-27-18(31)13-2-9(22)4-25-13)16(19(32)33)15(10)14-7-28-20(23)29-14;3-2(4,5)1(6)7/h1-4,7,10-11,15-16,24-25H,5-6H2,(H,26,30)(H,27,31)(H,32,33)(H3,23,28,29);(H,6,7)/t10-,11-,15-,16+;/m1./s1