tert-butyl (2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]propanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]propionic acid tert-butyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C18H25NO4S/c1-12(17(22)23-18(3,4)5)19-16(21)15(24-13(2)20)11-14-9-7-6-8-10-14/h6-10,12,15H,11H2,1-5H3,(H,19,21)/t12-,15-/m0/s1