2-(3-cyclopentyl-2H-1,3-thiazol-4-yl)-2-(4-methylsulfonylphenyl)-2-(propanoylamino)ethanoic acid

Systemtic Name: 2-(3-cyclopentyl-2H-1,3-thiazol-4-yl)-2-(4-methylsulfonylphenyl)-2-(propanoylamino)ethanoic acid Openeye Name: 2-(3-cyclopentyl-2H-thiazol-4-yl)-2-(4-methylsulfonylphenyl)-2-(propanoylamino)acetic acid CAS Name: 2-(3-cyclopentyl-2H-thiazol-4-yl)-2-(4-methylsulfonylphenyl)-2-(1-oxopropylamino)acetic acid IUPAC Name: 2-(3-cyclopentyl-2H-1,3-thiazol-4-yl)-2-(4-methylsulfonylphenyl)-2-(propanoylamino)acetic acid Traditional Name: 2-(3-cyclopentyl-4-thiazolin-4-yl)-2-(4-mesylphenyl)-2-propionamido-acetic acid Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CC=C(C=C1)S(=O)(=O)C)(C2=CSCN2C3CCCC3)C(=O)O

Isomeric SMILES

CCC(=O)NC(C1=CC=C(C=C1)S(=O)(=O)C)(C2=CSCN2C3CCCC3)C(=O)O

InChI

InChI=1S/C20H26N2O5S2/c1-3-18(23)21-20(19(24)25,14-8-10-16(11-9-14)29(2,26)27)17-12-28-13-22(17)15-6-4-5-7-15/h8-12,15H,3-7,13H2,1-2H3,(H,21,23)(H,24,25)