methyl 2-[[(2R)-2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(2R)-2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate Openeye Name: methyl 2-[[(2R)-2-benzamido-3-benzoylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[(2R)-2-benzamido-3-(benzoylthio)-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2R)-2-benzamido-3-benzoylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[(2R)-2-benzamido-3-(benzoylthio)propanoyl]amino]acetic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C(CSC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=O)[C@H](CSC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O5S/c1-27-17(23)12-21-19(25)16(22-18(24)14-8-4-2-5-9-14)13-28-20(26)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,21,25)(H,22,24)/t16-/m0/s1