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

Systemtic Name: methyl (2S,4S)-1-[(2R)-2-(4-azanylimidazol-1-yl)octanoyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-[(2R)-2-(4-amino-1-imidazolyl)-1-oxooctyl]-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)O)N2C=C(N=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4/c1-3-4-5-6-7-13(20-10-15(18)19-11-20)16(23)21-9-12(22)8-14(21)17(24)25-2/h10-14,22H,3-9,18H2,1-2H3/t12-,13+,14-/m0/s1