4-methylsulfanyl-2-[[5-(3-methyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[5-(3-methyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[2-isopropyl-5-(3-methyl-4-sulfanyl-butoxy)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-(4-mercapto-3-methylbutoxy)-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[5-(3-methyl-4-sulfanylbutoxy)-2-propan-2-ylbenzoyl]amino]butanoic acid Traditional Name: 2-[[2-isopropyl-5-(4-mercapto-3-methyl-butoxy)benzoyl]amino]-4-(methylthio)butyric acid Formula: C20H31NO4S2 MolecularWeight: 413.59444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)OCCC(C)CS)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)OCCC(C)CS)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C20H31NO4S2/c1-13(2)16-6-5-15(25-9-7-14(3)12-26)11-17(16)19(22)21-18(20(23)24)8-10-27-4/h5-6,11,13-14,18,26H,7-10,12H2,1-4H3,(H,21,22)(H,23,24)