ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid ethyl ester Formula: C25H33N3O5 MolecularWeight: 455.54662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=C(C=C1)OC)OC)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC(=C(C=C1)OC)OC)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C25H33N3O5/c1-4-33-24(30)16-20(19-13-14-21(31-2)22(15-19)32-3)28-23(29)8-6-5-7-17-9-11-18(12-10-17)25(26)27/h9-15,20H,4-8,16H2,1-3H3,(H3,26,27)(H,28,29)