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

Systemtic Name: methyl 2-[[5-(3-azanyl-4-sulfanyl-butoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-(3-amino-4-sulfanyl-butoxy)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-(3-amino-4-mercaptobutoxy)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(3-amino-4-sulfanylbutoxy)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-(3-amino-4-mercapto-butoxy)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S2/c1-28-23(27)21(11-13-31-2)25-22(26)20-14-18(29-12-10-17(24)15-30)8-9-19(20)16-6-4-3-5-7-16/h3-9,14,17,21,30H,10-13,15,24H2,1-2H3,(H,25,26)