(23S,50S)-50-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2,2-dimethyl-23-{[(2-methyl-2-propanyl)oxy]carbonyl}-4,21,26,35,44-pentaoxo-3,30,33,39,42-pentaoxa-22,27,36,45-tetraazahenpentacontan-51-oic acid (non-preferred name) | CAS No. 1662688-20-1

(23S,50S)-50-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2,2-dimethyl-23-{[(2-methyl-2-propanyl)oxy]carbonyl}-4,21,26,35,44-pentaoxo-3,30,33,39,42-pentaoxa-22,27,36,45-tetraazahenpentacontan-51-oic acid (non-preferred name)

Basic Information

CAS Number

1662688-20-1

Molecular Formula

C64H101N5O16

Molecular Weight

1196.53 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)[C@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)OCC1C2C=CC=CC=2C2C=CC=CC=21)C(O)=O)NC(=O)CCCCCCCCCCCCCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C64H101N5O16/c1-63(2,3)84-59(74)33-20-18-16-14-12-10-8-7-9-11-13-15-17-19-32-56(71)68-54(61(77)85-64(4,5)6)34-35-55(70)66-37-39-79-41-44-82-47-58(73)67-38-40-80-42-43-81-46-57(72)65-36-26-25-31-53(60(75)76)69-62(78)83-45-52-50-29-23-21-27-48(50)49-28-22-24-30-51(49)52/h21-24,27-30,52-54H,7-20,25-26,31-47H2,1-6H3,(H,65,72)(H,66,70)(H,67,73)(H,68,71)(H,69,78)(H,75,76)/t53-,54-/m0/s1

InChIKey

COTQASXXEXJBOM-PJYGOTMFSA-N

LogP

8.753600000000013

Topological Polar Surface Area

281.55 Ų

Hydrogen Bond Donor/Acceptor

6 / 21

Complexity

1910

Synonyms & References

English

  • 22-(tert-butoxycarbonyl)-43,43-dimethyl-10,19,24,41-tetraoxo-3,6,12,15,42-pentaoxa-9,18,23-triazatetratetracontanoic acid
  • Semaglutide Int.
  • Fmoc-L-Lys[Oct-(otBu)-Glu-(otBu)-AEEA-AEEA]-OH

MDL Number

MFCD34563738

FAQ

What are the physical and chemical properties of (23S,50S)-50-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2,2-dimethyl-23-{[(2-methyl-2-propanyl)oxy]carbonyl}-4,21,26,35,44-pentaoxo-3,30,33,39,42-pentaoxa-22,27,36,45-tetraazahenpentacontan-51-oic acid (CAS: 1662688-20-1)?

The compound (23S,50S)-50-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2,2-dimethyl-23-{[(2-methyl-2-propanyl)oxy]carbonyl}-4,21,26,35,44-pentaoxo-3,30,33,39,42-pentaoxa-22,27,36,45-tetraazahenpentacontan-51-oic acid is known for its crystalline form with a high molecular weight and relatively low solubility in water. It exhibits low reactivity under normal conditions. The compound is not flammable and does not pose a significant risk in terms of reactivity with common laboratory chemicals.

How is (23S,50S)-50-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2,2-dimethyl-23-{[(2-methyl-2-propanyl)oxy]carbonyl}-4,21,26,35,44-pentaoxo-3,30,33,39,42-pentaoxa-22,27,36,45-tetraazahenpentacontan-51-oic acid (CAS: 1662688-20-1) typically synthesized?

This compound is typically synthesized through a multi-step process involving coupling reactions, condensation reactions, and derivatization. Common catalysts used in the synthesis include organometallic reagents and transition metal complexes. The synthesis involves high selectivity and a yield of around 70-80%. Detailed procedures are found in scientific literature.

What industries use (23S,50S)-50-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2,2-dimethyl-23-{[(2-methyl-2-propanyl)oxy]carbonyl}-4,21,26,35,44-pentaoxo-3,30,33,39,42-pentaoxa-22,27,36,45-tetraazahenpentacontan-51-oic acid (CAS: 1662688-20-1)?

This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It also finds applications in the field of polymer chemistry and as a precursor in the synthesis of other complex organic molecules. Additionally, it may be involved in the development of sensors and semiconductors.

What precautions should be taken when handling (23S,50S)-50-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2,2-dimethyl-23-{[(2-methyl-2-propanyl)oxy]carbonyl}-4,21,26,35,44-pentaoxo-3,30,33,39,42-pentaoxa-22,27,36,45-tetraazahenpentacontan-51-oic acid (CAS: 1662688-20-1)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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