3-[[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclohexyl-amino]propanoic acid

Systemtic Name: 3-[[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclohexyl-amino]propanoic acid Openeye Name: 3-[[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]-cyclohexyl-amino]propanoic acid CAS Name: 3-[[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-cyclohexylamino]propanoic acid IUPAC Name: 3-[[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclohexylamino]propanoic acid Traditional Name: 3-[[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-cyclohexyl-amino]propionic acid Formula: C29H34N4O5S MolecularWeight: 550.66906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(CC1)N(CCC(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H34N4O5S/c30-28(31)23-10-6-7-20(17-23)18-26(29(36)33(16-15-27(34)35)24-11-2-1-3-12-24)32-39(37,38)25-14-13-21-8-4-5-9-22(21)19-25/h4-10,13-14,17,19,24,26,32H,1-3,11-12,15-16,18H2,(H3,30,31)(H,34,35)