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

Systemtic Name: (2S)-3-methyl-2-[[7-(phenylmethoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-2-[[7-(benzyloxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[7-(phenylmethoxycarbonylamino)-3-dibenzothiophenyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[7-(phenylmethoxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-2-[[7-(benzyloxycarbonylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C25H24N2O6S2 MolecularWeight: 512.59786

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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)OCC4=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)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O6S2/c1-15(2)23(24(28)29)27-35(31,32)18-9-11-20-19-10-8-17(12-21(19)34-22(20)13-18)26-25(30)33-14-16-6-4-3-5-7-16/h3-13,15,23,27H,14H2,1-2H3,(H,26,30)(H,28,29)/t23-/m0/s1