methyl (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate

Systemtic Name: methyl (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate Openeye Name: methyl (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate CAS Name: (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoic acid methyl ester IUPAC Name: methyl (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate Traditional Name: (3S)-3-(3-amidinophenyl)-5-(4-amidinophenyl)valeric acid methyl ester Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)C[C@H](CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)/t16-/m0/s1