methyl (2R)-2-[(3-methoxy-4-phenylmethoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[(3-methoxy-4-phenylmethoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[(4-benzyloxy-3-methoxy-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methoxy-4-phenylmethoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-benzoxy-3-methoxy-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(CCSC)C(=O)OC)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-25-19-13-16(20(23)22-17(11-12-28-3)21(24)26-2)9-10-18(19)27-14-15-7-5-4-6-8-15/h4-10,13,17H,11-12,14H2,1-3H3,(H,22,23)/t17-/m1/s1