ethyl (2R)-2-[[(2R)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-methylsulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[(2R)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-methylsulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[(2R)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2R)-2-[[(2R)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-(methylthio)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2R)-2-[[(2R)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-(methylthio)propionic acid ethyl ester Formula: C18H25NO4S2 MolecularWeight: 383.5254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CSC)NC(=O)[C@@H](CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C18H25NO4S2/c1-4-23-18(22)16(12-24-3)19-17(21)15(11-25-13(2)20)10-14-8-6-5-7-9-14/h5-9,15-16H,4,10-12H2,1-3H3,(H,19,21)/t15-,16-/m0/s1