3-[[1-(3,3-dimethylbutanoyl)-4-(3-methoxyphenyl)carbonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[1-(3,3-dimethylbutanoyl)-4-(3-methoxyphenyl)carbonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[1-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[1-(3,3-dimethyl-1-oxobutyl)-4-[(3-methoxyphenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[1-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)piperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[1-(3,3-dimethylbutanoyl)-4-m-anisoyl-piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C26H33N3O6S/c1-26(2,3)15-22(30)29-11-10-28(25(34)17-7-5-8-18(13-17)35-4)16-20(29)24(33)27-19(14-23(31)32)21-9-6-12-36-21/h5-9,12-13,19-20H,10-11,14-16H2,1-4H3,(H,27,33)(H,31,32)