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

Systemtic Name: (2S)-2-[[7-(cyclopentylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[7-(cyclopentylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[7-[[(cyclopentylamino)-oxomethyl]amino]-3-dibenzothiophenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[7-(cyclopentylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[7-(cyclopentylcarbamoylamino)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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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)NC4CCCC4

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)NC4CCCC4

InChI

InChI=1S/C23H27N3O5S2/c1-13(2)21(22(27)28)26-33(30,31)16-8-10-18-17-9-7-15(11-19(17)32-20(18)12-16)25-23(29)24-14-5-3-4-6-14/h7-14,21,26H,3-6H2,1-2H3,(H,27,28)(H2,24,25,29)/t21-/m0/s1