2-[[2-acetamido-3-(4-cyanophenyl)propanoyl]amino]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-[[2-acetamido-3-(4-cyanophenyl)propanoyl]amino]-2-cyclohexyl-ethanoic acid Openeye Name: 2-[[2-acetamido-3-(4-cyanophenyl)propanoyl]amino]-2-cyclohexyl-acetic acid CAS Name: 2-[[2-acetamido-3-(4-cyanophenyl)-1-oxopropyl]amino]-2-cyclohexylacetic acid IUPAC Name: 2-[[2-acetamido-3-(4-cyanophenyl)propanoyl]amino]-2-cyclohexylacetic acid Traditional Name: 2-[[2-acetamido-3-(4-cyanophenyl)propanoyl]amino]-2-cyclohexyl-acetic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)NC(C2CCCCC2)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)NC(C2CCCCC2)C(=O)O

InChI

InChI=1S/C20H25N3O4/c1-13(24)22-17(11-14-7-9-15(12-21)10-8-14)19(25)23-18(20(26)27)16-5-3-2-4-6-16/h7-10,16-18H,2-6,11H2,1H3,(H,22,24)(H,23,25)(H,26,27)