2-[3-(3-carbamimidoylphenyl)-2-(quinolin-8-ylsulfonylamino)propanoyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[3-(3-carbamimidoylphenyl)-2-(quinolin-8-ylsulfonylamino)propanoyl]piperidine-1-carboxylic acid Openeye Name: 2-[3-(3-carbamimidoylphenyl)-2-(8-quinolylsulfonylamino)propanoyl]piperidine-1-carboxylic acid CAS Name: 2-[3-(3-carbamimidoylphenyl)-1-oxo-2-(8-quinolinylsulfonylamino)propyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[3-(3-carbamimidoylphenyl)-2-(quinolin-8-ylsulfonylamino)propanoyl]piperidine-1-carboxylic acid Traditional Name: 2-[3-(3-amidinophenyl)-2-(8-quinolylsulfonylamino)propanoyl]piperidine-1-carboxylic acid Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(C(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)O

InChI

InChI=1S/C25H27N5O5S/c26-24(27)18-8-3-6-16(14-18)15-19(23(31)20-10-1-2-13-30(20)25(32)33)29-36(34,35)21-11-4-7-17-9-5-12-28-22(17)21/h3-9,11-12,14,19-20,29H,1-2,10,13,15H2,(H3,26,27)(H,32,33)