4-oxidanylidene-3-[[2-thiophen-2-yl-6-(thiophen-2-ylsulfonylamino)hexanoyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[[2-thiophen-2-yl-6-(thiophen-2-ylsulfonylamino)hexanoyl]amino]butanoic acid Openeye Name: 4-oxo-3-[[2-(2-thienyl)-6-(2-thienylsulfonylamino)hexanoyl]amino]butanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-thiophen-2-yl-6-(thiophen-2-ylsulfonylamino)hexyl]amino]butanoic acid IUPAC Name: 4-oxo-3-[[2-thiophen-2-yl-6-(thiophen-2-ylsulfonylamino)hexanoyl]amino]butanoic acid Traditional Name: 4-keto-3-[[2-(2-thienyl)-6-(2-thienylsulfonylamino)hexanoyl]amino]butyric acid Formula: C18H22N2O6S3 MolecularWeight: 458.57208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CCCCNS(=O)(=O)C2=CC=CS2)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CSC(=C1)C(CCCCNS(=O)(=O)C2=CC=CS2)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C18H22N2O6S3/c21-12-13(11-16(22)23)20-18(24)14(15-6-3-9-27-15)5-1-2-8-19-29(25,26)17-7-4-10-28-17/h3-4,6-7,9-10,12-14,19H,1-2,5,8,11H2,(H,20,24)(H,22,23)