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

Systemtic Name: methyl (2S,4S)-1-[(2R)-2-(4-azanylimidazol-1-yl)octanoyl]-4-naphthalen-1-yloxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-(1-naphthyloxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-[(2R)-2-(4-amino-1-imidazolyl)-1-oxooctyl]-4-(1-naphthalenyloxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-[(2R)-2-(4-aminoimidazol-1-yl)octanoyl]-4-(1-naphthoxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=CC3=CC=CC=C32)N4C=C(N=C4)N

Isomeric SMILES

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)OC2=CC=CC3=CC=CC=C32)N4C=C(N=C4)N

InChI

InChI=1S/C27H34N4O4/c1-3-4-5-6-13-22(30-17-25(28)29-18-30)26(32)31-16-20(15-23(31)27(33)34-2)35-24-14-9-11-19-10-7-8-12-21(19)24/h7-12,14,17-18,20,22-23H,3-6,13,15-16,28H2,1-2H3/t20-,22+,23-/m0/s1