2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-5-methyl-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-5-methyl-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-5-methyl-thiazol-4-yl]acetic acid CAS Name: 2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)-1-oxopropyl]amino]-5-methyl-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-5-methyl-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[3-cyclopentyl-2-(4-mesylphenyl)propanoyl]amino]-5-methyl-thiazol-4-yl]acetic acid Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C(CC2CCCC2)C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C(CC2CCCC2)C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O

InChI

InChI=1S/C21H26N2O5S2/c1-13-18(12-19(24)25)22-21(29-13)23-20(26)17(11-14-5-3-4-6-14)15-7-9-16(10-8-15)30(2,27)28/h7-10,14,17H,3-6,11-12H2,1-2H3,(H,24,25)(H,22,23,26)