3,3-Dimethyl-6-[[(2R)-2-(Methyleneamino)-2-Phenylacetyl]Amino]-7-Oxo-(2S,5R,6R)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylicacid Sodium Salt (1:1)
[CAS# 6489-61-8]

Identification

• Name: 3,3-Dimethyl-6-[[(2R)-2-(Methyleneamino)-2-Phenylacetyl]Amino]-7-Oxo-(2S,5R,6R)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylicacid Sodium Salt (1:1)
• Synonyms: Sodium (2S,5S,6R)-3,3-Dimethyl-6-[[(2R)-2-(Methyleneamino)-2-Phenyl-Acetyl]Amino]-7-Oxo-4-Thiabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5S,6R)-3,3-Dimethyl-6-[[(2R)-2-(Methyleneamino)-1-Oxo-2-Phenylethyl]Amino]-7-Oxo-4-Thiabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5S,6R)-7-Keto-3,3-Dimethyl-6-[[(2R)-2-(Methyleneamino)-2-Phenyl-Acetyl]Amino]-4-Thiabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₁₈H₁₉N₂NaO₄S
• Molecular Weight: 382.41
• CAS Registry Number: 6489-61-8
• SMILES: [C@H]12SC([C@@H](C1C(=O)[C@H]2NC(=O)[C@H](N=C)C3=CC=CC=C3)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C18H20N2O4S.Na/c1-18(2)11(17(23)24)10-14(21)13(15(10)25-18)20-16(22)12(19-3)9-7-5-4-6-8-9;/h4-8,10-13,15H,3H2,1-2H3,(H,20,22)(H,23,24);/q;+1/p-1/t10?,11-,12+,13+,15-;/m0./s1
• InChIKey: HKKRUDQBNLCMPZ-MZLHONQASA-M