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

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-(2-phenylsulfanylethanoyl)piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-(2-phenylsulfanylacetyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-(4-fluorophenyl)sulfonyl-1-[1-oxo-2-(phenylthio)ethyl]-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-(2-phenylsulfanylacetyl)piperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-[2-(phenylthio)acetyl]piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C26H26FN3O6S3 MolecularWeight: 591.694543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O6S3/c27-18-8-10-20(11-9-18)39(35,36)29-12-13-30(24(31)17-38-19-5-2-1-3-6-19)22(16-29)26(34)28-21(15-25(32)33)23-7-4-14-37-23/h1-11,14,21-22H,12-13,15-17H2,(H,28,34)(H,32,33)