methyl (2S,4S)-1-[(2R)-2-(4-azanylimidazol-1-yl)octanoyl]-4-pyridin-3-yloxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(2R)-2-(4-azanylimidazol-1-yl)octanoyl]-4-pyridin-3-yloxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-(3-pyridyloxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-[(2R)-2-(4-amino-1-imidazolyl)-1-oxooctyl]-4-(3-pyridinyloxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-(3-pyridyloxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CN=CC=C2)N3C=C(N=C3)N

Isomeric SMILES

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)OC2=CN=CC=C2)N3C=C(N=C3)N

InChI

InChI=1S/C22H31N5O4/c1-3-4-5-6-9-18(26-14-20(23)25-15-26)21(28)27-13-17(11-19(27)22(29)30-2)31-16-8-7-10-24-12-16/h7-8,10,12,14-15,17-19H,3-6,9,11,13,23H2,1-2H3/t17-,18+,19-/m0/s1