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

Systemtic Name: ethyl 3-(4-bromophenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoate Openeye Name: ethyl 3-(4-bromophenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoate CAS Name: 3-(4-bromophenyl)-3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(4-bromophenyl)propionic acid ethyl ester Formula: C23H28BrN3O3 MolecularWeight: 474.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3/c1-2-30-22(29)15-20(17-11-13-19(24)14-12-17)27-21(28)6-4-3-5-16-7-9-18(10-8-16)23(25)26/h7-14,20H,2-6,15H2,1H3,(H3,25,26)(H,27,28)