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

Systemtic Name: 3-[[1-(3,3-dimethylbutanoyl)-4-thiophen-2-ylsulfonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[1-(3,3-dimethylbutanoyl)-4-(2-thienylsulfonyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[1-(3,3-dimethyl-1-oxobutyl)-4-thiophen-2-ylsulfonyl-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[1-(3,3-dimethylbutanoyl)-4-thiophen-2-ylsulfonylpiperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[1-(3,3-dimethylbutanoyl)-4-(2-thienylsulfonyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C22H29N3O6S3 MolecularWeight: 527.67716

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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)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C2=CC=CS2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O6S3/c1-22(2,3)13-18(26)25-9-8-24(34(30,31)20-7-5-11-33-20)14-16(25)21(29)23-15(12-19(27)28)17-6-4-10-32-17/h4-7,10-11,15-16H,8-9,12-14H2,1-3H3,(H,23,29)(H,27,28)