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

Systemtic Name: methyl (2S)-1-[(2R)-2-(4-azanylimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-(4-amino-1-imidazolyl)-1-oxooctyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CCCC1C(=O)OC)N2C=C(N=C2)N

Isomeric SMILES

CCCCCC[C@H](C(=O)N1CCC[C@H]1C(=O)OC)N2C=C(N=C2)N

InChI

InChI=1S/C17H28N4O3/c1-3-4-5-6-8-13(20-11-15(18)19-12-20)16(22)21-10-7-9-14(21)17(23)24-2/h11-14H,3-10,18H2,1-2H3/t13-,14+/m1/s1