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

Systemtic Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-ethoxyphenyl)propanoate Openeye Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-ethoxyphenyl)propanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(4-ethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-ethoxyphenyl)propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-p-phenetyl-propionic acid ethyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)OCC)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC(=O)OCC)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C25H33N3O4/c1-3-31-21-15-13-19(14-16-21)22(17-24(30)32-4-2)28-23(29)8-6-5-7-18-9-11-20(12-10-18)25(26)27/h9-16,22H,3-8,17H2,1-2H3,(H3,26,27)(H,28,29)