CAS 102910-27-0

Carbamic acid, [1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-5-[[6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-1-oxohexyl]amino]pentyl]-, 1,1-dimethylethyl ester, [3aS-[3aα,4β(R*),6aα]]-

Description:

Carbamic acid with the specified name and CAS number 102910-27-0 is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carbamate and amine functionalities. This compound features a pyrrolidine ring, indicating potential cyclic behavior, and contains various substituents that contribute to its overall chemical reactivity and properties. The presence of dioxo and oxo groups suggests that it may exhibit significant hydrogen bonding capabilities, influencing its solubility and interaction with biological systems. Additionally, the ester functionality implies that it can undergo hydrolysis, which may be relevant in biological contexts or chemical reactions. The compound's stereochemistry, denoted by the specific notation, indicates the presence of chiral centers, which can affect its pharmacological activity and interactions with biological targets. Overall, this compound's complexity suggests potential applications in medicinal chemistry or as a biochemical tool, although specific biological activity would require further investigation.

Formula: C₃₁H₅₀N₆O₉S

InChI: InChI=1S/C31H50N6O9S/c1-31(2,3)45-30(44)35-20(28(42)46-37-25(40)15-16-26(37)41)11-8-10-18-33-23(38)13-5-4-9-17-32-24(39)14-7-6-12-22-27-21(19-47-22)34-29(43)36-27/h20-22,27H,4-19H2,1-3H3,(H,32,39)(H,33,38)(H,35,44)(H2,34,36,43)/t20-,21-,22-,27-/m0/s1

InChI key: InChIKey=FIYZGAUPFFOJCA-LFYAFONDSA-N

SMILES: C(CCCC(NCCCCCC(NCCCC[C@@H](C(ON1C(=O)CCC1=O)=O)NC(OC(C)(C)C)=O)=O)=O)[C@H]2[C@@]3([C@](CS2)(NC(=O)N3)[H])[H]

Synonyms:

• 1H-Thieno[3,4-d]imidazole, carbamic acid deriv.
• Carbamic acid, [1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-5-[[6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-1-oxohexyl]amino]pentyl]-, 1,1-dimethylethyl ester, [3aS-[3aα,4β(R*),6aα]]-
• [3aS-[3aa,4(R*),6aa]]-1-[[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl]-5-[[6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-1-oxohexyl]amino]pentyl]-carbamic acid 1,1-Dimethylethyl Ester