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

Systemtic Name: methyl 2-[[5-(3-azanyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]methyl-methyl-amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-(3-amino-4-sulfanyl-butoxy)-2-isopropyl-phenyl]methyl-methyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[5-(3-amino-4-mercaptobutoxy)-2-propan-2-ylphenyl]methyl-methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(3-amino-4-sulfanylbutoxy)-2-propan-2-ylphenyl]methyl-methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-(3-amino-4-mercapto-butoxy)-2-isopropyl-benzyl]-methyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C21H36N2O3S2 MolecularWeight: 428.65214

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O3S2/c1-15(2)19-7-6-18(26-10-8-17(22)14-27)12-16(19)13-23(3)20(9-11-28-5)21(24)25-4/h6-7,12,15,17,20,27H,8-11,13-14,22H2,1-5H3