benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate | CAS No. 868540-15-2

benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate

Basic Information

CAS Number

868540-15-2

Molecular Formula

C37H47N3O6

Molecular Weight

629.8 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(N[C@@H](CCC1=CC=CC=C1)C(N[C@@H](CC(C)C)C(N[C@@H](CC2=CC=CC=C2)C(OCC3=CC=CC=C3)=O)=O)=O)=O

InChI

InChI=1S/C37H47N3O6/c1-26(2)23-31(38-33(41)30(40-36(44)46-37(3,4)5)22-21-27-15-9-6-10-16-27)34(42)39-32(24-28-17-11-7-12-18-28)35(43)45-25-29-19-13-8-14-20-29/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,41)(H,39,42)(H,40,44)/t30-,31-,32-/m0/s1

InChIKey

AKIABKDAWVWIHO-CPCREDONSA-N

LogP

5.514300000000005

Topological Polar Surface Area

122.82999999999998 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

945

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (6S,9S,12S)-benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate
  • L-Phenylalanine, (αS)-α-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoyl-L-leucyl-, phenylmethyl ester
  • benzyl ((S)-2-((tert-butoxycarbonyl)aMino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate
  • Benzyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]am
  • (6S,9S,12S)-Benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate

MDL Number

MFCD29044885

FAQ

What is benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate (CAS: 868540-15-2)?

Benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate (CAS: 868540-15-2) is a complex organic compound used in pharmaceutical research. It is a dipeptide derivative with a benzyl group and specific amino acid moieties.

What are the main uses of benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate (CAS: 868540-15-2)?

Benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate (CAS: 868540-15-2) is primarily used in pharmaceutical research for its potential in drug development, particularly in the synthesis of peptides and derivatives with medicinal properties.

Is benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate (CAS: 868540-15-2) safe?

Benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate (CAS: 868540-15-2) is generally considered safe when handled with appropriate precautions. However, it should be used in a well-ventilated area, and appropriate protective gear should be worn to avoid skin and respiratory contact.

How should benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate (CAS: 868540-15-2) be stored?

Benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate (CAS: 868540-15-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent degradation and contamination.

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