(2S)-2-acetamido-3-[(2S)-1-oxidanylbut-3-en-2-yl]sulfanyl-propanoate

Systemtic Name: (2S)-2-acetamido-3-[(2S)-1-oxidanylbut-3-en-2-yl]sulfanyl-propanoate Openeye Name: (2S)-2-acetamido-3-[(1S)-1-(hydroxymethyl)allyl]sulfanyl-propanoate CAS Name: (2S)-2-acetamido-3-[[(2S)-1-hydroxybut-3-en-2-yl]thio]propanoate IUPAC Name: (2S)-2-acetamido-3-[(2S)-1-hydroxybut-3-en-2-yl]sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[[(1S)-1-methylolallyl]thio]propionate Formula: C9H14NO4S- MolecularWeight: 232.27676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(CO)C=C)C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@H](CS[C@H](CO)C=C)C(=O)[O-]

InChI

InChI=1S/C9H15NO4S/c1-3-7(4-11)15-5-8(9(13)14)10-6(2)12/h3,7-8,11H,1,4-5H2,2H3,(H,10,12)(H,13,14)/p-1/t7-,8+/m0/s1