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

Systemtic Name: (2S)-3-methyl-2-[[7-(2-methylsulfonylethoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[7-(2-methylsulfonylethoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[7-[[2-methylsulfonylethoxy(oxo)methyl]amino]-3-dibenzothiophenyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[7-(2-methylsulfonylethoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-2-[[7-(2-mesylethoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C21H24N2O8S3 MolecularWeight: 528.61886

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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)OCCS(=O)(=O)C

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)OCCS(=O)(=O)C

InChI

InChI=1S/C21H24N2O8S3/c1-12(2)19(20(24)25)23-34(29,30)14-5-7-16-15-6-4-13(10-17(15)32-18(16)11-14)22-21(26)31-8-9-33(3,27)28/h4-7,10-12,19,23H,8-9H2,1-3H3,(H,22,26)(H,24,25)/t19-/m0/s1