2-[[4-methoxy-4-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-methoxy-4-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[4-methoxy-4-oxo-2-(sulfanylmethyl)butanoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-(mercaptomethyl)-4-methoxy-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[4-methoxy-4-oxo-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[4-keto-2-(mercaptomethyl)-4-methoxy-butanoyl]amino]propionic acid Formula: C9H15NO6S MolecularWeight: 265.2835

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CS)C(=O)NC(CO)C(=O)O

Isomeric SMILES

COC(=O)CC(CS)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C9H15NO6S/c1-16-7(12)2-5(4-17)8(13)10-6(3-11)9(14)15/h5-6,11,17H,2-4H2,1H3,(H,10,13)(H,14,15)