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

Systemtic Name: 3-[4-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-thiophen-3-yl-propanoic acid Openeye Name: 3-[4-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-2,3-dioxo-piperazin-1-yl]-3-(3-thienyl)propanoic acid CAS Name: 3-[4-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-2,3-dioxo-1-piperazinyl]-3-(3-thiophenyl)propanoic acid IUPAC Name: 3-[4-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-2,3-dioxopiperazin-1-yl]-3-thiophen-3-ylpropanoic acid Traditional Name: 3-[4-[3-[(4-amidinobenzoyl)amino]propyl]-2,3-diketo-piperazino]-3-(3-thienyl)propionic acid Formula: C22H25N5O5S MolecularWeight: 471.5294

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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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5S/c23-19(24)14-2-4-15(5-3-14)20(30)25-7-1-8-26-9-10-27(22(32)21(26)31)17(12-18(28)29)16-6-11-33-13-16/h2-6,11,13,17H,1,7-10,12H2,(H3,23,24)(H,25,30)(H,28,29)