3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoyl-phenethyl-amino]propanoic acid

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoyl-phenethyl-amino]propanoic acid Openeye Name: 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]-phenethyl-amino]propanoic acid CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-oxoethyl]-phenethylamino]propanoic acid IUPAC Name: 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]-phenethylamino]propanoic acid Traditional Name: 3-[[2-[4-(4-amidinophenyl)piperazino]acetyl]-phenethyl-amino]propionic acid Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N(CCC2=CC=CC=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1CC(=O)N(CCC2=CC=CC=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H31N5O3/c25-24(26)20-6-8-21(9-7-20)28-16-14-27(15-17-28)18-22(30)29(13-11-23(31)32)12-10-19-4-2-1-3-5-19/h1-9H,10-18H2,(H3,25,26)(H,31,32)