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CAS 1292296-10-6

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1,14-Dimethyl (3S,8S,9R,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate

Description:
1,14-Dimethyl (3S,8S,9R,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate, with CAS number 1292296-10-6, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as hydroxyl, carbonyl, and amine groups. The presence of multiple chiral centers contributes to its stereochemistry, influencing its biological activity and interactions. This compound features a long carbon chain with several substituents, including bulky tert-butyl groups, which may affect its solubility and stability. The phenylmethyl and pyridine moieties suggest potential applications in medicinal chemistry, possibly as a ligand or in drug design. Its dioxo and pentaaza functionalities indicate potential reactivity and coordination properties, making it of interest in coordination chemistry. Overall, the compound's unique structure and functional groups may confer specific properties that could be explored in various chemical and biological contexts.
Formula:C38H52N6O7
InChI:InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30+,31-,32-/m1/s1
InChI key:InChIKey=AXRYRYVKAWYZBR-VWPRMMSESA-N
SMILES:N(CC1=CC=C(C=C1)C2=CC=CC=N2)(C[C@@H]([C@@H](CC3=CC=CC=C3)NC([C@@H](NC(OC)=O)[C@](C)(C)C)=O)O)NC([C@@H](NC(OC)=O)[C@@](C)(C)C)=O
Synonyms:
  • 1,14-Dimethyl (3S,8S,9R,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate
  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9R,12S)-
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