methyl 2-[(5-azanyl-2-phenethyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(5-azanyl-2-phenethyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(5-amino-2-phenethyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(5-amino-2-phenethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(5-amino-2-phenethylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(5-amino-2-phenethyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)N)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)N)CCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-26-21(25)19(12-13-27-2)23-20(24)18-14-17(22)11-10-16(18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14,19H,8-9,12-13,22H2,1-2H3,(H,23,24)