2-[[5-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-[(E)-5-amino-2-isopropyl-6-sulfanyl-hex-3-enoxy]-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-[(E)-5-amino-6-mercapto-2-propan-2-ylhex-3-enoxy]-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-[(E)-5-amino-2-propan-2-yl-6-sulfanylhex-3-enoxy]-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-[(E)-5-amino-2-isopropyl-6-mercapto-hex-3-enoxy]-2-isopropyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H38N2O4S2 MolecularWeight: 482.69952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)OCC(C=CC(CS)N)C(C)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)OCC(/C=C/C(CS)N)C(C)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C24H38N2O4S2/c1-15(2)17(6-7-18(25)14-31)13-30-19-8-9-20(16(3)4)21(12-19)23(27)26-22(24(28)29)10-11-32-5/h6-9,12,15-18,22,31H,10-11,13-14,25H2,1-5H3,(H,26,27)(H,28,29)/b7-6+