[2S-[2alpha,5alpha,6beta(S*)]]-6-[[[[(4-Hydroxy-1,5-Naphthyridin-3-Yl)Carbonyl]Amino]Phenylacetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Monosodium Salt
[CAS# 58795-03-2]

Identification

• Name: [2S-[2alpha,5alpha,6beta(S*)]]-6-[[[[(4-Hydroxy-1,5-Naphthyridin-3-Yl)Carbonyl]Amino]Phenylacetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Monosodium Salt
• Synonyms: Sodium (2R,5S,6S)-3,3-Dimethyl-7-Oxo-6-[[(2R)-2-[(4-Oxo1h-1,5-Naphthyridine-3-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2R,5S,6S)-3,3-Dimethyl-7-Oxo-6-[[(2R)-1-Oxo-2-[[Oxo-(4-Oxo-1H-1,5-Naphthyridin-3-Yl)Methyl]Amino]-2-Phenylethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2R,5S,6S)-7-Keto-6-[[(2R)-2-[(4-Keto1h-1,5-Naphthyridine-3-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₅H₂₂N₅NaO₆S
• Molecular Weight: 543.53
• CAS Registry Number: 58795-03-2
• EINECS: 261-446-1
• SMILES: [C@@H]12SC([C@H](N1C(=O)[C@@H]2NC(=O)[C@H](NC(=O)C4=CNC3=C(N=CC=C3)C4=O)C5=CC=CC=C5)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C25H23N5O6S.Na/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31;/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36);/q;+1/p-1/t15-,17+,19-,23+;/m1./s1
• InChIKey: DIGBQDMXLUJMHN-DCTMXOOQSA-M

Properties

• Boiling point: 925.4°C at 760 mmHg (Cal.)
• Flash point: 513.5°C (Cal.)