4-(aminomethyl)-1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-(aminomethyl)-1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-(aminomethyl)-1-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]cyclohexanecarboxylic acid CAS Name: 4-(aminomethyl)-1-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-(aminomethyl)-1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-4-(aminomethyl)cyclohexanecarboxylic acid Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)(C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(CCC1CN)(C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C28H32N4O5S/c29-17-18-10-12-28(13-11-18,27(34)35)25(33)24(15-19-4-3-7-22(14-19)26(30)31)32-38(36,37)23-9-8-20-5-1-2-6-21(20)16-23/h1-9,14,16,18,24,32H,10-13,15,17,29H2,(H3,30,31)(H,34,35)