(2S)-2-[[8-[(4-dimethylaminophenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[8-[(4-dimethylaminophenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[8-[(4-dimethylaminophenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[8-[[[4-(dimethylamino)anilino]-oxomethyl]amino]-3-dibenzofuranyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[8-[(4-dimethylaminophenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[8-[(4-dimethylaminophenyl)carbamoylamino]dibenzofuran-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C26H28N4O6S MolecularWeight: 524.58872

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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=CC(=C3)NC(=O)NC4=CC=C(C=C4)N(C)C

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=C(C=C4)N(C)C

InChI

InChI=1S/C26H28N4O6S/c1-15(2)24(25(31)32)29-37(34,35)19-10-11-20-21-13-17(7-12-22(21)36-23(20)14-19)28-26(33)27-16-5-8-18(9-6-16)30(3)4/h5-15,24,29H,1-4H3,(H,31,32)(H2,27,28,33)/t24-/m0/s1