2-methyl-4-[[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 2-methyl-4-[[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[[(4-isobutylphenyl)-(2-thienyl)methyl]amino]-2-methyl-4-oxo-2-phenyl-butanoic acid CAS Name: 2-methyl-4-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 2-methyl-4-[[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]-4-oxo-2-phenylbutanoic acid Traditional Name: 4-[[(4-isobutylphenyl)-(2-thienyl)methyl]amino]-4-keto-2-methyl-2-phenyl-butyric acid Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CC(C)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CC(C)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H29NO3S/c1-18(2)16-19-11-13-20(14-12-19)24(22-10-7-15-31-22)27-23(28)17-26(3,25(29)30)21-8-5-4-6-9-21/h4-15,18,24H,16-17H2,1-3H3,(H,27,28)(H,29,30)