(2S)-3-methyl-2-[[8-(5-methyl-1-phenyl-pyrazol-4-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[8-(5-methyl-1-phenyl-pyrazol-4-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[8-(5-methyl-1-phenyl-pyrazol-4-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[8-(5-methyl-1-phenyl-4-pyrazolyl)-3-dibenzofuranyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[8-(5-methyl-1-phenylpyrazol-4-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[8-(5-methyl-1-phenyl-pyrazol-4-yl)dibenzofuran-3-yl]sulfonylamino]butyric acid Formula: C27H25N3O5S MolecularWeight: 503.5695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=C4C=CC(=C5)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=C4C=CC(=C5)S(=O)(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C27H25N3O5S/c1-16(2)26(27(31)32)29-36(33,34)20-10-11-21-22-13-18(9-12-24(22)35-25(21)14-20)23-15-28-30(17(23)3)19-7-5-4-6-8-19/h4-16,26,29H,1-3H3,(H,31,32)/t26-/m0/s1