tert-butyl (2S)-2-[[(2R)-3-bromanyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2R)-3-bromanyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2R)-2-(allyloxycarbonylamino)-3-bromo-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2R)-3-bromo-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]propyl]amino]-4-(methylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R)-3-bromo-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2R)-2-(allyloxycarbonylamino)-3-bromo-propanoyl]amino]-4-(methylthio)butyric acid tert-butyl ester Formula: C16H27BrN2O5S MolecularWeight: 439.36498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCSC)NC(=O)C(CBr)NC(=O)OCC=C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCSC)NC(=O)[C@H](CBr)NC(=O)OCC=C

InChI

InChI=1S/C16H27BrN2O5S/c1-6-8-23-15(22)19-12(10-17)13(20)18-11(7-9-25-5)14(21)24-16(2,3)4/h6,11-12H,1,7-10H2,2-5H3,(H,18,20)(H,19,22)/t11-,12-/m0/s1