(2S)-2-[[(2R)-3-methylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2R)-3-methylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[[(1R)-2-hydroxy-1-(methylsulfanylmethyl)-2-oxo-ethyl]carbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[[(2R)-1-hydroxy-3-(methylthio)-1-oxopropan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2R)-1-hydroxy-3-methylsulfanyl-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[[(1R)-2-hydroxy-2-keto-1-[(methylthio)methyl]ethyl]carbamoylamino]glutaric acid Formula: C10H16N2O7S MolecularWeight: 308.30824

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C10H16N2O7S/c1-20-4-6(9(17)18)12-10(19)11-5(8(15)16)2-3-7(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H2,11,12,19)/t5-,6-/m0/s1