structure of 3-(N-Tosyl-L-alaninyloxy)-5-phenylpyrrole

3-(N-Tosyl-L-alaninyloxy)-5-phenylpyrrole

CAS No.: 99740-00-8
M. Wt: 384.449
M. Fa: C20H20N2O4S
InChI Key: VZALJYJCTCKOHO-HNNXBMFYSA-N
Appearance: Yellow Solid

Names and Identifiers of 99740-00-8

CAS Number

99740-00-8

IUPAC Name

(5-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

InChI

InChI=1S/C20H20N2O4S/c1-14-8-10-18(11-9-14)27(24,25)22-15(2)20(23)26-17-12-19(21-13-17)16-6-4-3-5-7-16/h3-13,15,21-22H,1-2H3/t15-/m0/s1

InChIKey

VZALJYJCTCKOHO-HNNXBMFYSA-N

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CNC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OC2=CNC(=C2)C3=CC=CC=C3

Physical and chemical properties of 99740-00-8

Acidity coefficient

9.05±0.50(Predicted)

Boiling Point

613.3±65.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

384.114380

Flash Point

324.7±34.3 °C

Index of Refraction

1.605

LogP

3.80

Melting Point

153-155ºC

Molecular Formula

C20H20N2O4S

Molecular Weight

384.449

PSA

96.64000

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±1.8 mmHg at 25°C

Applications of 99740-00-8

3-(N-Tosyl-L-alaninyloxy)-5-phenylpyrrole has potential applications in several fields:

  • Life Sciences Research: As a biochemical reagent, it may be used in various assays or as a building block for synthesizing other compounds.
  • Pharmaceutical Development: Its chiral nature suggests possible roles in drug formulation and development, particularly for targeting specific biological pathways or receptors.

Biological Activity of 99740-00-8

Research indicates that 3-(N-Tosyl-L-alaninyloxy)-5-phenylpyrrole may exhibit biological activity relevant to life sciences. Its chiral nature allows it to interact selectively with biological molecules, which could be beneficial in drug design and development. Preliminary studies suggest potential applications in detecting specific components in human urine, although detailed mechanisms and broader biological implications require further investigation.

Physical sample testing spectrum (NMR) of 99740-00-8

Physical sample testing spectrum (NMR) of 99740-00-8