2-[1-[4-(2-azanyl-3-sulfanyl-propoxy)-2-propan-2-yl-phenyl]ethylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[1-[4-(2-azanyl-3-sulfanyl-propoxy)-2-propan-2-yl-phenyl]ethylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[1-[4-(2-amino-3-sulfanyl-propoxy)-2-isopropyl-phenyl]ethylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[1-[4-(2-amino-3-mercaptopropoxy)-2-propan-2-ylphenyl]ethylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[1-[4-(2-amino-3-sulfanylpropoxy)-2-propan-2-ylphenyl]ethylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[1-[4-(2-amino-3-mercapto-propoxy)-2-isopropyl-phenyl]ethylamino]-4-(methylthio)butyric acid Formula: C19H32N2O3S2 MolecularWeight: 400.59898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3S2/c1-12(2)17-9-15(24-10-14(20)11-25)5-6-16(17)13(3)21-18(19(22)23)7-8-26-4/h5-6,9,12-14,18,21,25H,7-8,10-11,20H2,1-4H3,(H,22,23)