3-[4-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[4-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[4-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-2,3-dioxo-piperazin-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[4-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-2,3-dioxo-1-piperazinyl]-3-phenylpropanoic acid IUPAC Name: 3-[4-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-2,3-dioxopiperazin-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[4-[3-[(4-amidinobenzoyl)amino]propyl]-2,3-diketo-piperazino]-3-phenyl-propionic acid Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCNC(=O)C2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCNC(=O)C2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H27N5O5/c25-21(26)17-7-9-18(10-8-17)22(32)27-11-4-12-28-13-14-29(24(34)23(28)33)19(15-20(30)31)16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-15H2,(H3,25,26)(H,27,32)(H,30,31)