3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]propanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]propanoic acid Openeye Name: 3-(4-carbamimidoylphenyl)-2-[3-(2-naphthylsulfonylamino)-2-oxo-1-piperidyl]propanoic acid CAS Name: 3-(4-carbamimidoylphenyl)-2-[3-(2-naphthalenylsulfonylamino)-2-oxo-1-piperidinyl]propanoic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxopiperidin-1-yl]propanoic acid Traditional Name: 3-(4-amidinophenyl)-2-[2-keto-3-(2-naphthylsulfonylamino)piperidino]propionic acid Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(C(=O)N(C1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N4O5S/c26-23(27)18-9-7-16(8-10-18)14-22(25(31)32)29-13-3-6-21(24(29)30)28-35(33,34)20-12-11-17-4-1-2-5-19(17)15-20/h1-2,4-5,7-12,15,21-22,28H,3,6,13-14H2,(H3,26,27)(H,31,32)