3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(3-methylsulfinylphenyl)propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(3-methylsulfinylphenyl)propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl]-3-(3-methylsulfinylphenyl)propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl]-3-(3-methylsulfinylphenyl)propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-(3-methylsulfinylphenyl)propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino]-3-(3-methylsulfinylphenyl)propionic acid Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=CC(=C1)C(CC(=O)O)N2CCN(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)C1=CC=CC(=C1)C(CC(=O)O)N2CCN(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H28N4O6S/c1-35(33)19-5-2-4-17(14-19)20(15-21(29)30)28-12-11-27(23(31)24(28)32)10-3-13-34-18-8-6-16(7-9-18)22(25)26/h2,4-9,14,20H,3,10-13,15H2,1H3,(H3,25,26)(H,29,30)