3-[[1-(4-carbamimidoylphenyl)carbonylpiperidin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[1-(4-carbamimidoylphenyl)carbonylpiperidin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[1-(4-carbamimidoylbenzoyl)piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[1-[(4-carbamimidoylphenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[1-(4-carbamimidoylbenzoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-amidinobenzoyl)nipecotoyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C23H27N5O6S MolecularWeight: 501.55538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N5O6S/c24-20(25)15-8-10-16(11-9-15)22(30)28-12-4-5-17(14-28)21(29)26-13-19(23(31)32)27-35(33,34)18-6-2-1-3-7-18/h1-3,6-11,17,19,27H,4-5,12-14H2,(H3,24,25)(H,26,29)(H,31,32)