methyl (2S)-2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-sulfanyl-propanoate

Systemtic Name: methyl (2S)-2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-sulfanyl-propanoate Openeye Name: methyl (2S)-2-[(3-methoxy-3-oxo-propanoyl)amino]-3-sulfanyl-propanoate CAS Name: (2S)-3-mercapto-2-[(3-methoxy-1,3-dioxopropyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-methoxy-3-oxopropanoyl)amino]-3-sulfanylpropanoate Traditional Name: (2S)-2-[(3-keto-3-methoxy-propanoyl)amino]-3-mercapto-propionic acid methyl ester Formula: C8H13NO5S MolecularWeight: 235.25752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CC(=O)N[C@H](CS)C(=O)OC

InChI

InChI=1S/C8H13NO5S/c1-13-7(11)3-6(10)9-5(4-15)8(12)14-2/h5,15H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1