3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(thiophen-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(thiophen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(2-thienylsulfonylamino)propanoic acid CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid IUPAC Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(2-thienylsulfonylamino)propionic acid Formula: C20H24N6O6S2 MolecularWeight: 508.57116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N6O6S2/c21-19(22)13-3-5-14(6-4-13)25-7-8-26(17(28)12-25)11-16(27)23-10-15(20(29)30)24-34(31,32)18-2-1-9-33-18/h1-6,9,15,24H,7-8,10-12H2,(H3,21,22)(H,23,27)(H,29,30)