(2S)-3-methyl-2-[[7-(phenoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[7-(phenoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[7-(phenoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[7-[[oxo(phenoxy)methyl]amino]-3-dibenzothiophenyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[7-(phenoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-2-[[7-(carbophenoxyamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C24H22N2O6S2 MolecularWeight: 498.57128

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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(S2)C=C(C=C3)NC(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)NC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O6S2/c1-14(2)22(23(27)28)26-34(30,31)17-9-11-19-18-10-8-15(12-20(18)33-21(19)13-17)25-24(29)32-16-6-4-3-5-7-16/h3-14,22,26H,1-2H3,(H,25,29)(H,27,28)/t22-/m0/s1