2-[(4-carbamimidoylphenyl)-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]amino]propanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]amino]propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-[2-(2-naphthylsulfonylamino)acetyl]anilino)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]anilino)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-[2-(naphthalen-2-ylsulfonylamino)acetyl]anilino)propanoic acid Traditional Name: 2-(4-amidino-N-[2-(2-naphthylsulfonylamino)acetyl]anilino)propionic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)C(=N)N)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)C(=N)N)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N4O5S/c1-14(22(28)29)26(18-9-6-16(7-10-18)21(23)24)20(27)13-25-32(30,31)19-11-8-15-4-2-3-5-17(15)12-19/h2-12,14,25H,13H2,1H3,(H3,23,24)(H,28,29)