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

Systemtic Name: (2S,3S)-3-[[(2S)-1-morpholin-4-yl-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: (2S,3S)-3-[[(1S)-1-(morpholine-4-carbonyl)-3-phenyl-propyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: (2S,3S)-3-[[[(2S)-1-(4-morpholinyl)-1-oxo-4-phenylbutan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: (2S,3S)-3-[[(2S)-1-morpholin-4-yl-1-oxo-4-phenylbutan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: (2S,3S)-3-[[(1S)-1-(morpholine-4-carbonyl)-3-phenyl-propyl]carbamoyl]oxirane-2-carboxylic acid Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(CCC2=CC=CC=C2)NC(=O)C3C(O3)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)[C@H](CCC2=CC=CC=C2)NC(=O)[C@@H]3[C@H](O3)C(=O)O

InChI

InChI=1S/C18H22N2O6/c21-16(14-15(26-14)18(23)24)19-13(7-6-12-4-2-1-3-5-12)17(22)20-8-10-25-11-9-20/h1-5,13-15H,6-11H2,(H,19,21)(H,23,24)/t13-,14-,15-/m0/s1