(2S)-2-[[8-(but-3-ynoxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[8-(but-3-ynoxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[8-(but-3-ynoxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[8-[[but-3-ynoxy(oxo)methyl]amino]-3-dibenzofuranyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[8-(but-3-ynoxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[8-(but-3-ynoxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C22H22N2O7S MolecularWeight: 458.48428

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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)OCCC#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)OCCC#C

InChI

InChI=1S/C22H22N2O7S/c1-4-5-10-30-22(27)23-14-6-9-18-17(11-14)16-8-7-15(12-19(16)31-18)32(28,29)24-20(13(2)3)21(25)26/h1,6-9,11-13,20,24H,5,10H2,2-3H3,(H,23,27)(H,25,26)/t20-/m0/s1