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

Systemtic Name: methyl (2S,4S)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-hydroxy-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-hydroxy-1-[(2R)-2-(4-nitro-1-imidazolyl)-1-oxooctyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-hydroxy-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-hydroxy-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H26N4O6 MolecularWeight: 382.41154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)O)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)O)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O6/c1-3-4-5-6-7-13(19-10-15(18-11-19)21(25)26)16(23)20-9-12(22)8-14(20)17(24)27-2/h10-14,22H,3-9H2,1-2H3/t12-,13+,14-/m0/s1