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CAS 787549-26-2

:

Phenylmethyl N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]carbamate

Description:
Phenylmethyl N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]carbamate, identified by its CAS number 787549-26-2, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carbamates and amides. This compound features a phenylmethyl group, a benzopyran moiety, and a pentyl chain, contributing to its potential biological activity. The presence of the benzopyran structure suggests possible interactions with biological targets, particularly in medicinal chemistry, where such compounds may exhibit anti-inflammatory or anticancer properties. Its stereochemistry, indicated by the (1S) configuration, may influence its pharmacological effects and interactions with biological systems. The compound's solubility, stability, and reactivity would depend on its specific functional groups and overall molecular conformation, making it a subject of interest for further research in drug development and therapeutic applications.
Formula:C27H31N3O6
InChI:InChI=1S/C27H31N3O6/c1-3-24(31)28-14-8-7-11-22(30-27(34)35-17-19-9-5-4-6-10-19)26(33)29-20-12-13-21-18(2)15-25(32)36-23(21)16-20/h4-6,9-10,12-13,15-16,22H,3,7-8,11,14,17H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t22-/m0/s1
InChI key:InChIKey=BFDGUJKFQRJHJM-QFIPXVFZSA-N
SMILES:CC=1C=2C(=CC(NC([C@@H](NC(OCC3=CC=CC=C3)=O)CCCCNC(CC)=O)=O)=CC2)OC(=O)C1
Synonyms:
  • Phenylmethyl N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]carbamate
  • Carbamic acid, [(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]-, phenylmethyl ester
  • Carbamic acid, N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]-, phenylmethyl ester
  • MOCPAC
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