(2S)-2-[3-(3-carbamimidoylphenyl)phenyl]-5-(pyridin-4-ylamino)pentanoic acid

Systemtic Name: (2S)-2-[3-(3-carbamimidoylphenyl)phenyl]-5-(pyridin-4-ylamino)pentanoic acid Openeye Name: (2S)-2-[3-(3-carbamimidoylphenyl)phenyl]-5-(4-pyridylamino)pentanoic acid CAS Name: (2S)-2-[3-(3-carbamimidoylphenyl)phenyl]-5-(pyridin-4-ylamino)pentanoic acid IUPAC Name: (2S)-2-[3-(3-carbamimidoylphenyl)phenyl]-5-(pyridin-4-ylamino)pentanoic acid Traditional Name: (2S)-2-[3-(3-amidinophenyl)phenyl]-5-(4-pyridylamino)valeric acid Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CCCNC2=CC=NC=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)[C@H](CCCNC2=CC=NC=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1