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CAS 82189-03-5

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D-Alanine, N-(cyclohexylcarbonyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20,23-hexaen-13-yl ester

Description:
D-Alanine, N-(cyclohexylcarbonyl)-, with the CAS number 82189-03-5, is a complex organic compound characterized by its unique structural features and functional groups. It is an amino acid derivative, specifically a modified form of D-Alanine, which is known for its role in protein synthesis and metabolism. The presence of a cyclohexylcarbonyl group indicates that it has a cyclic structure contributing to its steric properties. The compound also features multiple double bonds and hydroxyl and methoxy groups, which suggest potential reactivity and interactions with other molecules. Its bicyclic structure, denoted by the "2-azabicyclo" nomenclature, implies a fused ring system that may influence its biological activity and stability. The trioxo functional groups indicate the presence of three carbonyl functionalities, which can play a significant role in the compound's reactivity and potential applications in medicinal chemistry or as a biochemical probe. Overall, this compound's intricate structure suggests a range of possible interactions and applications in various fields, including pharmaceuticals and biochemistry.
Formula:C36H48N2O8
InChI:InChI=1/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14-/t24-,25-,29+,31+,33+/m1/s1
InChI key:InChIKey=WWUVMHRJRCRFSL-UOZMSBJPSA-N
SMILES:O=C1C2=CC(=O)C=C1CC/C=C(/C)\[C@H](O)[C@@H](C)[C@@H](OC([C@H](NC(=O)C3CCCCC3)C)=O)C\C=C\C=C\C=C\[C@H](OC)CC(=O)N2
Synonyms:
  • Mycotrienin I
  • Ansatrienin A
  • 2-Azabicyclo[18.3.1]tetracosane, D-alanine deriv.
  • D-Alanine, N-(cyclohexylcarbonyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20,23-hexaen-13-yl ester
  • D-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with ansatrienol A
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