(aS,2S,3R,4S)-5-Carboxy-4-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-a-[(1R)-hydroxyethyl]-3-methyl-2H-pyrrole-2-acetic Acid-d6 Disodium Salt; H 4295-d6 Disodium Salt; ICI 213689-d6 Disodium Salt; UK 1a-d6 Disodium Salt;

化合物标识与属性

CAS

7321-27-9

PubChem CID

169434990

SMILES

[2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@@H](CN1)S[C@H]2[C@@H](C(N=C2C(=O)[O-])[C@@H]([C@@H](C)O)C(=O)[O-])C)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@@H](CN1)SC2=C(NC([C@H]2C)[C@@H]([C@@H](C)O)C(=O)[O-])C(=O)[O-])C([2H])([2H])[2H].[Na+].[Na+].[Na+].[Na+]

Canonical SMILES

[2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@H](SC2=C(C(=O)[O-])NC([C@H](C(=O)[O-])[C@@H](C)O)[C@H]2C)CN1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@H](S[C@@H]2C(C(=O)[O-])=NC([C@H](C(=O)[O-])[C@@H](C)O)[C@H]2C)CN1)C([2H])([2H])[2H].[Na+].[Na+].[Na+].[Na+]