methyl (2S,4S)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]-4-(1,2-oxazol-5-yloxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]-4-(1,2-oxazol-5-yloxy)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-isoxazol-5-yloxy-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(5-isoxazolyloxy)-1-[(2R)-2-(4-nitro-1-imidazolyl)-1-oxooctyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]-4-(1,2-oxazol-5-yloxy)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-isoxazol-5-yloxy-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H27N5O7 MolecularWeight: 449.45768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=NO2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)OC2=CC=NO2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O7/c1-3-4-5-6-7-15(23-12-17(21-13-23)25(28)29)19(26)24-11-14(10-16(24)20(27)30-2)31-18-8-9-22-32-18/h8-9,12-16H,3-7,10-11H2,1-2H3/t14-,15+,16-/m0/s1