2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclopropyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclopropyl-amino]ethanoic acid Openeye Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-cyclopropyl-amino]acetic acid CAS Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-cyclopropylamino]acetic acid IUPAC Name: 2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclopropylamino]acetic acid Traditional Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-cyclopropyl-amino]acetic acid Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC1N(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H23N3O5S/c26-15-18-7-5-17(6-8-18)13-23(25(31)28(16-24(29)30)21-10-11-21)27-34(32,33)22-12-9-19-3-1-2-4-20(19)14-22/h1-9,12,14,21,23,27H,10-11,13,16H2,(H,29,30)