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

Systemtic Name: sodium (2S,3S)-3-[[(2S)-1-morpholin-4-yl-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium (2S,3S)-3-[[(1S)-1-(morpholine-4-carbonyl)-3-phenyl-propyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium (2S,3S)-3-[[[(2S)-1-(4-morpholinyl)-1-oxo-4-phenylbutan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium (2S,3S)-3-[[(2S)-1-morpholin-4-yl-1-oxo-4-phenylbutan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium (2S,3S)-3-[[(1S)-1-(morpholine-4-carbonyl)-3-phenyl-propyl]carbamoyl]oxirane-2-carboxylate Formula: C18H21N2NaO6 MolecularWeight: 384.35891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(CCC2=CC=CC=C2)NC(=O)C3C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6.Na/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);/q;+1/p-1/t13-,14-,15-;/m0./s1