2-[carbamimidoyl-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[carbamimidoyl-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[carbamimidoyl-[2-(2-naphthylsulfonylamino)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[carbamimidoyl-[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[carbamimidoyl-[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[amidino-[2-(2-naphthylsulfonylamino)acetyl]amino]-3-phenyl-propionic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5S/c23-22(24)26(19(21(28)29)12-15-6-2-1-3-7-15)20(27)14-25-32(30,31)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19,25H,12,14H2,(H3,23,24)(H,28,29)