3-[[2-(3-tert-butylcyclopentyl)-3-phenyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[2-(3-tert-butylcyclopentyl)-3-phenyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-(3-tert-butylcyclopentyl)-3-phenyl-propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(3-tert-butylcyclopentyl)-1-oxo-3-phenylpropyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(3-tert-butylcyclopentyl)-3-phenylpropanoyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-(3-tert-butylcyclopentyl)-3-phenyl-propanoyl]amino]-5-phenyl-2-thenoic acid Formula: C29H33NO3S MolecularWeight: 475.64222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C1)C(CC2=CC=CC=C2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1CCC(C1)C(CC2=CC=CC=C2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H33NO3S/c1-29(2,3)22-15-14-21(17-22)23(16-19-10-6-4-7-11-19)27(31)30-24-18-25(34-26(24)28(32)33)20-12-8-5-9-13-20/h4-13,18,21-23H,14-17H2,1-3H3,(H,30,31)(H,32,33)