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

Systemtic Name: methyl 2-[[5-(2-azanyl-3-sulfanyl-propoxy)-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-(2-amino-3-sulfanyl-propoxy)-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-(2-amino-3-mercaptopropoxy)-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-amino-3-sulfanylpropoxy)-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-(2-amino-3-mercapto-propoxy)-2-isopropyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H30N2O4S2 MolecularWeight: 414.5825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4S2/c1-12(2)15-6-5-14(25-10-13(20)11-26)9-16(15)18(22)21-17(7-8-27-4)19(23)24-3/h5-6,9,12-13,17,26H,7-8,10-11,20H2,1-4H3,(H,21,22)