methyl (2S)-2-[[4-azanyl-2-(2-methoxyphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate hydrochloride

Systemtic Name: methyl (2S)-2-[[4-azanyl-2-(2-methoxyphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate hydrochloride Openeye Name: methyl (2S)-2-[[4-amino-2-(2-methoxyphenyl)benzoyl]amino]-4-methylsulfanyl-butanoate hydrochloride CAS Name: (2S)-2-[[[4-amino-2-(2-methoxyphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[[4-amino-2-(2-methoxyphenyl)benzoyl]amino]-4-methylsulfanylbutanoate hydrochloride Traditional Name: (2S)-2-[[4-amino-2-(2-methoxyphenyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester hydrochloride Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C=CC(=C2)N)C(=O)NC(CCSC)C(=O)OC.Cl

Isomeric SMILES

COC1=CC=CC=C1C2=C(C=CC(=C2)N)C(=O)N[C@@H](CCSC)C(=O)OC.Cl

InChI

InChI=1S/C20H24N2O4S.ClH/c1-25-18-7-5-4-6-14(18)16-12-13(21)8-9-15(16)19(23)22-17(10-11-27-3)20(24)26-2;/h4-9,12,17H,10-11,21H2,1-3H3,(H,22,23);1H/t17-;/m0./s1