CAS 714252-21-8

L-Phenylalaninamide, N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-L-leucyl-4-benzoyl-N-[5-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]pentyl]-

Description:

L-Phenylalaninamide, with the CAS number 714252-21-8, is a complex organic compound characterized by its intricate structure, which includes multiple functional groups and chiral centers. This substance features an amide linkage, indicating the presence of a carbonyl group adjacent to a nitrogen atom, which is typical for compounds involved in biological processes. The molecule contains both phenyl and thienyl groups, suggesting potential interactions with biological targets, particularly in medicinal chemistry. Its stereochemistry, denoted by the (2R,3S) and (3aS,4S,6aR) configurations, implies that it may exhibit specific biological activity due to the spatial arrangement of its atoms. The presence of hydroxy and amino groups enhances its solubility and reactivity, making it suitable for various applications, including drug development. Overall, L-Phenylalaninamide is a noteworthy compound in the realm of pharmaceuticals, potentially serving as a precursor or active ingredient in therapeutic agents.

Formula: C₆₀H₈₀N₈O₉S

InChI: InChI=1S/C60H80N8O9S/c1-40(2)34-47(65-58(75)68(37-43-22-12-7-13-23-43)38-50(69)46(35-41-20-10-6-11-21-41)66-59(76)77-60(3,4)5)56(73)63-48(36-42-28-30-45(31-29-42)54(71)44-24-14-8-15-25-44)55(72)62-33-19-9-18-32-61-52(70)27-17-16-26-51-53-49(39-78-51)64-57(74)67-53/h6-8,10-15,20-25,28-31,40,46-51,53,69H,9,16-19,26-27,32-39H2,1-5H3,(H,61,70)(H,62,72)(H,63,73)(H,65,75)(H,66,76)(H2,64,67,74)/t46-,47-,48-,49-,50+,51-,53-/m0/s1

InChI key: InChIKey=LXSSRSLMLQIWNX-DJZUSUHUSA-N

SMILES: C(CCCC(NCCCCCNC([C@H](CC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)NC([C@@H](NC(N(CC3=CC=CC=C3)C[C@H]([C@H](CC4=CC=CC=C4)NC(OC(C)(C)C)=O)O)=O)CC(C)C)=O)=O)=O)[C@H]5[C@@]6([C@](CS5)(NC(=O)N6)[H])[H]

Synonyms:

• <span class="text-smallcaps">L</smallcap>-Phenylalaninamide, N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-<smallcap>L</span>-leucyl-4-benzoyl-N-[5-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]pentyl]-
• Iii-63
• Wpe-Iii-63
• L-Phenylalaninamide, N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-L-leucyl-4-benzoyl-N-[5-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]pentyl]-
• III-63 hydrate
• WPE-III-63 hydrate
• L-Phenylalaninamide, N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-L-leucyl-4-benzoyl-N-[5-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]pentyl]- (9CI)

III-63 hydrate

CAS: 714252-21-8

Formula: C₆₀H₈₀N₈O₉S·xH₂O

Molecular weight: 1089.39 (anhydrous)

Ref: 7W-GL2448