Apalcillin
[CAS# 63469-19-2]

Identification

• Name: Apalcillin
• Synonyms: (2S,5R)-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-Carboxylic Acid; (2S,5R)-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-Carboxylic Acid; (2S,5R)-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-Carboxylic Acid
• Molecular Formula: C₂₅H₂₃N₅O₆S
• Molecular Weight: 521.55
• CAS Registry Number: 63469-19-2
• SMILES: [C@H]12SC([C@@H](N1C(=O)C2NC(=O)[C@H](NC(=O)C4=CNC3=C(N=CC=C3)C4=O)C5=CC=CC=C5)C(O)=O)(C)C
• InChI: 1S/C25H23N5O6S/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)/t15-,17?,19+,23-/m1/s1
• InChIKey: XMQVYNAURODYCQ-YSDJCIHPSA-N

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 925.393°C at 760 mmHg (Cal.)
• Flash point: 513.459°C (Cal.)