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

Systemtic Name: 3-[[1-(2-phenylsulfanylethanoyl)-4-thiophen-2-ylsulfonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[1-(2-phenylsulfanylacetyl)-4-(2-thienylsulfonyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[oxo-[1-[1-oxo-2-(phenylthio)ethyl]-4-thiophen-2-ylsulfonyl-2-piperazinyl]methyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[1-(2-phenylsulfanylacetyl)-4-thiophen-2-ylsulfonylpiperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[1-[2-(phenylthio)acetyl]-4-(2-thienylsulfonyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C24H25N3O6S4 MolecularWeight: 579.7318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=CS2)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC=CS2)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O6S4/c28-21(16-36-17-6-2-1-3-7-17)27-11-10-26(37(32,33)23-9-5-13-35-23)15-19(27)24(31)25-18(14-22(29)30)20-8-4-12-34-20/h1-9,12-13,18-19H,10-11,14-16H2,(H,25,31)(H,29,30)