bis(phenylmethyl) 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-1-ium-1,2-dicarboxylate

Systemtic Name: bis(phenylmethyl) 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-1-ium-1,2-dicarboxylate Openeye Name: dibenzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-1-ium-1,2-dicarboxylate CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]pyrrolidin-1-ium-1,2-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-1-ium-1,2-dicarboxylate Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-1-ium-1,2-dicarboxylic acid dibenzyl ester Formula: C26H29N4O5+ MolecularWeight: 477.53226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C(CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC([N+](C1)(C(=O)C(CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N4O5/c27-22(14-21-15-28-18-29-21)24(31)30(26(33)35-17-20-10-5-2-6-11-20)13-7-12-23(30)25(32)34-16-19-8-3-1-4-9-19/h1-6,8-11,15,18,22-23H,7,12-14,16-17,27H2,(H,28,29)/q+1