CAS 165315-96-8: 12-Oxa-2,7,10-triazatetradecanoic acid, 4-hydroxy-13,13-dimethyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [3S-(3R*,4R*,6R*,9R*)]-

Description: 12-Oxa-2,7,10-triazatetradecanoic acid, with the CAS number 165315-96-8, is a complex organic compound characterized by its unique structural features, including a long carbon chain and multiple functional groups. This compound contains a thiazole moiety, which contributes to its potential biological activity, and features multiple chiral centers, indicating that it may exist in several stereoisomeric forms. The presence of hydroxyl and keto groups suggests it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The phenylmethyl groups may enhance lipophilicity, potentially affecting its interaction with biological membranes. Additionally, the oxo and thiazolylmethyl ester functionalities may play a role in its reactivity and stability. Overall, this compound's intricate structure suggests it could have applications in medicinal chemistry or materials science, although specific biological or chemical properties would require further investigation through empirical studies.

Formula: C₃₃H₄₄N₄O₆S

InChI: InChI=1S/C33H44N4O6S/c1-22(2)29(37-32(41)43-33(3,4)5)30(39)35-25(16-23-12-8-6-9-13-23)18-28(38)27(17-24-14-10-7-11-15-24)36-31(40)42-20-26-19-34-21-44-26/h6-15,19,21-22,25,27-29,38H,16-18,20H2,1-5H3,(H,35,39)(H,36,40)(H,37,41)/t25-,27-,28-,29-/m0/s1

InChI key: InChIKey=YTUZKKZZDRSLNF-AMEOFWRWSA-N

SMILES: O=C(OCC=1SC=NC1)NC(CC=2C=CC=CC2)C(O)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)CC=3C=CC=CC3

4-Hydroxy-13,13-dimethyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl) 12-Oxa-2,7,10-triazatetradecanoic Acid 5-Thiazolylmethyl Ester

CAS: 165315-96-8

• Formula: C₃₃H₄₄N₄O₆S
• Color and Shape: Neat
• Molecular weight: 624.791

4-Hydroxy-13,13-dimethyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl) 12-oxa-2,7,10-triazatetradecanoic acid 5-thiazolylmethyl ester

CAS: 165315-96-8

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• Formula: C₃₃H₄₄N₄O₆S
• Purity: Min. 95%
• Molecular weight: 624.8 g/mol