[[(2R)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 2-methyl-4-methylsulfanyl-butanoate

Systemtic Name: [[(2R)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 2-methyl-4-methylsulfanyl-butanoate Openeye Name: [[(2R)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino] 2-methyl-4-methylsulfanyl-butanoate CAS Name: 2-methyl-4-(methylthio)butanoic acid [[(2R)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: [[(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino] 2-methyl-4-methylsulfanylbutanoate Traditional Name: 2-methyl-4-(methylthio)butyric acid [[(2R)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino] ester Formula: C18H25NO4S2 MolecularWeight: 383.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)C(=O)ONC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CC(CCSC)C(=O)ONC(=O)[C@@H](CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C18H25NO4S2/c1-13(9-10-24-3)18(22)23-19-17(21)16(12-25-14(2)20)11-15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3,(H,19,21)/t13?,16-/m0/s1