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

Systemtic Name: methyl 2-[[5-(2-azanyl-3-sulfanyl-propoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-(2-amino-3-sulfanyl-propoxy)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-(2-amino-3-mercaptopropoxy)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-amino-3-sulfanylpropoxy)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-(2-amino-3-mercapto-propoxy)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)OCC(CS)N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)OCC(CS)N)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O4S2/c1-27-22(26)20(10-11-30-2)24-21(25)19-12-17(28-13-16(23)14-29)8-9-18(19)15-6-4-3-5-7-15/h3-9,12,16,20,29H,10-11,13-14,23H2,1-2H3,(H,24,25)