3-(3-azanylpyridin-2-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate

Systemtic Name: 3-(3-azanylpyridin-2-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate Openeye Name: 3-(3-amino-2-pyridyl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate CAS Name: 5-(4-carbamimidoylphenyl)pentanoic acid [3-(3-amino-2-pyridinyl)-1-oxopropyl] ester IUPAC Name: 3-(3-aminopyridin-2-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate Traditional Name: 5-(4-amidinophenyl)valeric acid 3-(3-amino-2-pyridyl)propanoyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CCC(=O)OC(=O)CCCCC2=CC=C(C=C2)C(=N)N)N

Isomeric SMILES

C1=CC(=C(N=C1)CCC(=O)OC(=O)CCCCC2=CC=C(C=C2)C(=N)N)N

InChI

InChI=1S/C20H24N4O3/c21-16-5-3-13-24-17(16)11-12-19(26)27-18(25)6-2-1-4-14-7-9-15(10-8-14)20(22)23/h3,5,7-10,13H,1-2,4,6,11-12,21H2,(H3,22,23)