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

Systemtic Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: ethyl 3-(4-benzyloxyphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(4-benzoxyphenyl)propionic acid ethyl ester Formula: C30H35N3O4 MolecularWeight: 501.6166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C30H35N3O4/c1-2-36-29(35)20-27(24-16-18-26(19-17-24)37-21-23-9-4-3-5-10-23)33-28(34)11-7-6-8-22-12-14-25(15-13-22)30(31)32/h3-5,9-10,12-19,27H,2,6-8,11,20-21H2,1H3,(H3,31,32)(H,33,34)