methyl (3S,4R)-4-(3-carbamimidoylphenyl)-1-[(4-carbamimidoylphenyl)methyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(3-carbamimidoylphenyl)-1-[(4-carbamimidoylphenyl)methyl]pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4R)-4-(3-carbamimidoylphenyl)-1-[(4-carbamimidoylphenyl)methyl]pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(3-carbamimidoylphenyl)-1-[(4-carbamimidoylphenyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(3-carbamimidoylphenyl)-1-[(4-carbamimidoylphenyl)methyl]pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-(4-amidinobenzyl)-4-(3-amidinophenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=CC=CC(=C2)C(=N)N)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)[C@@H]1CN(C[C@H]1C2=CC=CC(=C2)C(=N)N)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H25N5O2/c1-28-21(27)18-12-26(10-13-5-7-14(8-6-13)19(22)23)11-17(18)15-3-2-4-16(9-15)20(24)25/h2-9,17-18H,10-12H2,1H3,(H3,22,23)(H3,24,25)/t17-,18+/m0/s1