(2S)-3-methyl-2-[[7-(2-thiophen-2-ylethylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[7-(2-thiophen-2-ylethylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[7-[2-(2-thienyl)ethylcarbamoylamino]dibenzofuran-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[7-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]-3-dibenzofuranyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[7-(2-thiophen-2-ylethylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[7-[2-(2-thienyl)ethylcarbamoylamino]dibenzofuran-3-yl]sulfonylamino]butyric acid Formula: C24H25N3O6S2 MolecularWeight: 515.6018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=C(C=C3)NC(=O)NCCC4=CC=CS4

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=C(C=C3)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C24H25N3O6S2/c1-14(2)22(23(28)29)27-35(31,32)17-6-8-19-18-7-5-15(12-20(18)33-21(19)13-17)26-24(30)25-10-9-16-4-3-11-34-16/h3-8,11-14,22,27H,9-10H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1