3,3-dimethyl-5-oxidanylidene-5-[[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]amino]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]amino]pentanoic acid Openeye Name: 5-[[(4-isopropylphenyl)-(2-thienyl)methyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[[p-cumenyl(2-thienyl)methyl]amino]valeric acid Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C21H27NO3S/c1-14(2)15-7-9-16(10-8-15)20(17-6-5-11-26-17)22-18(23)12-21(3,4)13-19(24)25/h5-11,14,20H,12-13H2,1-4H3,(H,22,23)(H,24,25)