2-[[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]acetic acid Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C(CC1=CC=CC(=C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN(CC(=O)O)C(=O)C(CC1=CC=CC(=C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H24N4O5S/c1-27(14-21(28)29)23(30)20(12-15-5-4-8-18(11-15)22(24)25)26-33(31,32)19-10-9-16-6-2-3-7-17(16)13-19/h2-11,13,20,26H,12,14H2,1H3,(H3,24,25)(H,28,29)