(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobutanoic acid | CAS No. 269066-08-2

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobutanoic acid

Basic Information

CAS Number

269066-08-2

Molecular Formula

C39H42N2O8

Molecular Weight

666.77 g/mol

AD

Basic Physical Properties

CC(C)CC(=NC1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=C(CC(CC5=O)(C)C)O

InChI

InChI=1S/C39H42N2O8/c1-23(2)17-31(36-33(42)19-39(3,4)20-34(36)43)40-25-15-13-24(14-16-25)21-48-35(44)18-32(37(45)46)41-38(47)49-22-30-28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h5-16,23,30,32,40H,17-22H2,1-4H3,(H,41,47)(H,45,46)/t32-/m0/s1

InChIKey

FLMMHDDOOIGEPG-YTTGMZPUSA-N

LogP

6.782100000000007

Topological Polar Surface Area

148.1 Ų

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

1260

Synonyms & References

English

  • AKOS016003534
  • 269066-08-2
  • (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(4-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutylamino)benzyloxy)-4-oxobutanoic acid
  • (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobu
  • (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[4-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]phenyl]methoxy]-4-oxobutanoic acid
  • Fmoc-Asp(ODmab)-OH
  • J-016598
  • (2S)-4-[(4-{[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino}phenyl)methoxy]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid (non-preferred name)
  • DTXSID70681027
  • (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobutanoic acid
  • Fmoc-L-Asp(ODmab)-OH
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartic acid 4-[[4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl]ester
  • (2S)-4-[[4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
  • S-269066-08-2
  • MFCD00797875
  • 4-[[4-[[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl] hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate
  • HY-W007108
  • CS-W007108
  • AS-57089
  • Fmoc-L-aspartic acid beta-4-[N-{1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl}amino]benzyl ester
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartic acid 4-[[4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl] ester
  • Fmoc-L-aspartic acid β-4-[N-{1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl}amino]benzyl ester
  • Fmoc-Asp(Dmab)-OH
  • Fmoc-Asp(ODMAB)-OH

MDL Number

MFCD00797875

FAQ

What regulatory guidelines apply to (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobutanoic acid (CAS: 269066-08-2)?

This compound must comply with regulatory guidelines such as GHS for classification and labeling, REACH for registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA requirements for safety and environmental protection. Producers and handlers should ensure compliance with local and international regulations regarding its manufacture, storage, and disposal.

Are there alternatives to (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobutanoic acid (CAS: 269066-08-2) in synthesis?

Common alternatives in synthesis include using isomers with similar functional groups or substituents, such as (R)-isomers or simpler analogs like 2-aminobenzoic acid. Alternative reagents can also be explored based on the specific reaction conditions and desired properties, such as using different carboxylic acids or amines.

What is the market or research trend for (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobutanoic acid (CAS: 269066-08-2)?

Research trends indicate a growing interest in the development of novel compounds for drug discovery and catalysis applications. Market dynamics suggest increasing demand in pharmaceutical research and specialized chemical industries. Emerging trends include the exploration of its potential in medicinal chemistry and new synthetic methodologies.

How should waste containing (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobutanoic acid (CAS: 269066-08-2) be handled?

Waste containing this compound should be collected in appropriate containers, ensuring no secondary reactions occur. It should be incinerated or disposed of by professional waste disposal services that comply with environmental regulations. Protective measures and safety precautions should be taken during handling to prevent environmental contamination and ensure worker safety.

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