(2S,3S)-3-[[(2S)-1-oxidanylidene-3-phenyl-1-thiomorpholin-4-yl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: (2S,3S)-3-[[(2S)-1-oxidanylidene-3-phenyl-1-thiomorpholin-4-yl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: (2S,3S)-3-[[(1S)-1-benzyl-2-oxo-2-thiomorpholino-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: (2S,3S)-3-[oxo-[[(2S)-1-oxo-3-phenyl-1-thiomorpholin-4-ylpropan-2-yl]amino]methyl]-2-oxiranecarboxylic acid IUPAC Name: (2S,3S)-3-[[(2S)-1-oxo-3-phenyl-1-thiomorpholin-4-ylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: (2S,3S)-3-[[(1S)-1-benzyl-2-keto-2-thiomorpholino-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(O3)C(=O)O

Isomeric SMILES

C1CSCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3[C@H](O3)C(=O)O

InChI

InChI=1S/C17H20N2O5S/c20-15(13-14(24-13)17(22)23)18-12(10-11-4-2-1-3-5-11)16(21)19-6-8-25-9-7-19/h1-5,12-14H,6-10H2,(H,18,20)(H,22,23)/t12-,13-,14-/m0/s1