3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]acetyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[1-(4-amidinophenyl)-4-piperidyl]acetyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H29N5O5S/c24-22(25)17-6-8-18(9-7-17)28-12-10-16(11-13-28)14-21(29)26-15-20(23(30)31)27-34(32,33)19-4-2-1-3-5-19/h1-9,16,20,27H,10-15H2,(H3,24,25)(H,26,29)(H,30,31)