3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2,4-dichlorophenyl)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2,4-dichlorophenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2,4-dichlorophenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(2,4-dichlorophenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2,4-dichlorophenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(2,4-dichlorophenyl)propionic acid Formula: C21H23Cl2N3O3 MolecularWeight: 436.33162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)NC(CC(=O)O)C2=C(C=C(C=C2)Cl)Cl)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)NC(CC(=O)O)C2=C(C=C(C=C2)Cl)Cl)C(=N)N

InChI

InChI=1S/C21H23Cl2N3O3/c22-15-9-10-16(17(23)11-15)18(12-20(28)29)26-19(27)4-2-1-3-13-5-7-14(8-6-13)21(24)25/h5-11,18H,1-4,12H2,(H3,24,25)(H,26,27)(H,28,29)