(2S)-2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[(3-acetylsulfanyl-2-methylpropanoyl)amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[3-(acetylthio)-2-methyl-propanoyl]amino]-3-hydroxy-propionic acid Formula: C9H15NO5S MolecularWeight: 249.2841

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC(CO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO5S/c1-5(4-16-6(2)12)8(13)10-7(3-11)9(14)15/h5,7,11H,3-4H2,1-2H3,(H,10,13)(H,14,15)/t5?,7-/m0/s1