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

Systemtic Name: methyl (2S,4S)-1-[(2R)-2-(4-azanylimidazol-1-yl)octanoyl]-4-phenoxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-phenoxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-[(2R)-2-(4-amino-1-imidazolyl)-1-oxooctyl]-4-phenoxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-phenoxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-phenoxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O4/c1-3-4-5-9-12-19(26-15-21(24)25-16-26)22(28)27-14-18(13-20(27)23(29)30-2)31-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,3-5,9,12-14,24H2,1-2H3/t18-,19+,20-/m0/s1