(2S)-2-[[(2R)-1-ethoxy-1-oxidanylidene-3-pentylsulfanyl-propan-2-yl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2R)-1-ethoxy-1-oxidanylidene-3-pentylsulfanyl-propan-2-yl]amino]propanoic acid Openeye Name: (2S)-2-[[(1R)-2-ethoxy-2-oxo-1-(pentylsulfanylmethyl)ethyl]amino]propanoic acid CAS Name: (2S)-2-[[(2R)-1-ethoxy-1-oxo-3-(pentylthio)propan-2-yl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2R)-1-ethoxy-1-oxo-3-pentylsulfanylpropan-2-yl]amino]propanoic acid Traditional Name: (2S)-2-[[(1R)-1-[(amylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid Formula: C13H25NO4S MolecularWeight: 291.4069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC(C(=O)OCC)NC(C)C(=O)O

Isomeric SMILES

CCCCCSC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)O

InChI

InChI=1S/C13H25NO4S/c1-4-6-7-8-19-9-11(13(17)18-5-2)14-10(3)12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)/t10-,11-/m0/s1