methyl 4-azanyl-3-[3H-benzimidazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-[4-(N'-pyridin-3-ylcarbonylcarbamimidoyl)phenyl]butanoate

Systemtic Name: methyl 4-azanyl-3-[3H-benzimidazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-[4-(N'-pyridin-3-ylcarbonylcarbamimidoyl)phenyl]butanoate Openeye Name: methyl 4-amino-3-[3H-benzimidazol-5-yloxycarbonyl(2-pyridyl)amino]-3-[4-[N'-(pyridine-3-carbonyl)carbamimidoyl]phenyl]butanoate CAS Name: 4-amino-3-[4-[amino-[oxo(3-pyridinyl)methyl]iminomethyl]phenyl]-3-[[3H-benzimidazol-5-yloxy(oxo)methyl]-(2-pyridinyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-amino-3-[3H-benzimidazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-[4-[N'-(pyridine-3-carbonyl)carbamimidoyl]phenyl]butanoate Traditional Name: 4-amino-3-[3H-benzimidazol-5-yloxycarbonyl(2-pyridyl)amino]-3-[4-(N'-nicotinoylamidino)phenyl]butyric acid methyl ester Formula: C31H28N8O5 MolecularWeight: 592.60462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CN)(C1=CC=C(C=C1)C(=NC(=O)C2=CN=CC=C2)N)N(C3=CC=CC=N3)C(=O)OC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

COC(=O)CC(CN)(C1=CC=C(C=C1)C(=NC(=O)C2=CN=CC=C2)N)N(C3=CC=CC=N3)C(=O)OC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C31H28N8O5/c1-43-27(40)16-31(18-32,22-9-7-20(8-10-22)28(33)38-29(41)21-5-4-13-34-17-21)39(26-6-2-3-14-35-26)30(42)44-23-11-12-24-25(15-23)37-19-36-24/h2-15,17,19H,16,18,32H2,1H3,(H,36,37)(H2,33,38,41)