(2S)-2-[[(2R)-3-bromanyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-3-bromanyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2R)-2-(allyloxycarbonylamino)-3-bromo-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2R)-3-bromo-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]propyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2R)-3-bromo-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2R)-2-(allyloxycarbonylamino)-3-bromo-propanoyl]amino]-4-(methylthio)butyric acid Formula: C12H19BrN2O5S MolecularWeight: 383.25866

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CBr)NC(=O)OCC=C

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)[C@H](CBr)NC(=O)OCC=C

InChI

InChI=1S/C12H19BrN2O5S/c1-3-5-20-12(19)15-9(7-13)10(16)14-8(11(17)18)4-6-21-2/h3,8-9H,1,4-7H2,2H3,(H,14,16)(H,15,19)(H,17,18)/t8-,9-/m0/s1