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

Systemtic Name: 2-[[5-(3-azanyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]methyl-methyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-(3-amino-4-sulfanyl-butoxy)-2-isopropyl-phenyl]methyl-methyl-amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[5-(3-amino-4-mercaptobutoxy)-2-propan-2-ylphenyl]methyl-methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(3-amino-4-sulfanylbutoxy)-2-propan-2-ylphenyl]methyl-methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-(3-amino-4-mercapto-butoxy)-2-isopropyl-benzyl]-methyl-amino]-4-(methylthio)butyric acid Formula: C20H34N2O3S2 MolecularWeight: 414.62556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)OCCC(CS)N)CN(C)C(CCSC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)OCCC(CS)N)CN(C)C(CCSC)C(=O)O

InChI

InChI=1S/C20H34N2O3S2/c1-14(2)18-6-5-17(25-9-7-16(21)13-26)11-15(18)12-22(3)19(20(23)24)8-10-27-4/h5-6,11,14,16,19,26H,7-10,12-13,21H2,1-4H3,(H,23,24)