(2S)-3-methyl-2-[[8-[(3-phenoxyphenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[8-[(3-phenoxyphenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[8-[(3-phenoxyphenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[8-[[oxo-(3-phenoxyanilino)methyl]amino]-3-dibenzofuranyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[8-[(3-phenoxyphenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[8-[(3-phenoxyphenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]butyric acid Formula: C30H27N3O7S MolecularWeight: 573.61628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)NC(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)NC(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H27N3O7S/c1-18(2)28(29(34)35)33-41(37,38)23-12-13-24-25-16-20(11-14-26(25)40-27(24)17-23)32-30(36)31-19-7-6-10-22(15-19)39-21-8-4-3-5-9-21/h3-18,28,33H,1-2H3,(H,34,35)(H2,31,32,36)/t28-/m0/s1