4-azanyl-2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-(hydroxymethyl)-3-mercapto-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(hydroxymethyl)-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[3-hydroxy-2-(mercaptomethyl)propanoyl]amino]-4-keto-butyric acid Formula: C8H14N2O5S MolecularWeight: 250.27216

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)NC(=O)C(CO)CS)C(=O)N

Isomeric SMILES

C(C(C(=O)O)NC(=O)C(CO)CS)C(=O)N

InChI

InChI=1S/C8H14N2O5S/c9-6(12)1-5(8(14)15)10-7(13)4(2-11)3-16/h4-5,11,16H,1-3H2,(H2,9,12)(H,10,13)(H,14,15)