tert-butyl (2S)-3-phenyl-2-[2-[2-(phenylmethylsulfanyl)ethylsulfonyl]ethoxycarbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-phenyl-2-[2-[2-(phenylmethylsulfanyl)ethylsulfonyl]ethoxycarbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[2-(2-benzylsulfanylethylsulfonyl)ethoxycarbonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-[2-[2-(phenylmethylthio)ethylsulfonyl]ethoxy]methyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[2-(2-benzylsulfanylethylsulfonyl)ethoxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[2-[2-(benzylthio)ethylsulfonyl]ethoxycarbonylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H33NO6S2 MolecularWeight: 507.66262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)OCCS(=O)(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCCS(=O)(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C25H33NO6S2/c1-25(2,3)32-23(27)22(18-20-10-6-4-7-11-20)26-24(28)31-14-16-34(29,30)17-15-33-19-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3,(H,26,28)/t22-/m0/s1