
CAS 1844064-97-6
:Carbamic acid, N-[(1S)-1-[[(2S,5S)-2-[1,11-dihydro-9-[2-[(2S,4S)-4-(methoxymethyl)-2-pyrrolidinyl]-1H-imidazol-5-yl][2]benzopyrano[4′,3′:6,7]naphth[1,2-d]imidazol-2-yl]-5-methyl-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl ester, phosphate (1:3)
Description:
Carbamic acid, N-[(1S)-1-[[[2S,5S)-2-[1,11-dihydro-9-[2-[(2S,4S)-4-(methoxymethyl)-2-pyrrolidinyl]-1H-imidazol-5-yl][2]benzopyrano[4′,3′:6,7]naphth[1,2-d]imidazol-2-yl]-5-methyl-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl ester, phosphate (1:3) is a complex organic compound characterized by its intricate molecular structure, which includes multiple chiral centers and functional groups. This substance features a carbamic acid moiety, indicating its potential as a derivative of carbamic acid, which is known for its role in various biological and chemical processes. The presence of a phosphate group suggests that it may exhibit properties relevant to biochemical applications, such as enzyme inhibition or modulation of metabolic pathways. Additionally, the compound's structure includes multiple rings and heteroatoms, which may contribute to its solubility, stability, and reactivity. Overall, this compound's unique characteristics make it a subject of interest in medicinal chemistry and drug development, particularly in the context of targeting specific biological pathways or receptors.
Formula:C39H45N7O5·3H3O4P
InChI:InChI=1S/C39H45N7O5.H3O4P/c1-20(2)34(45-39(48)50-5)38(47)46-21(3)6-11-32(46)37-42-29-10-8-23-14-28-26-9-7-24(13-25(26)19-51-33(28)15-27(23)35(29)44-37)31-17-41-36(43-31)30-12-22(16-40-30)18-49-4;1-5(2,3)4/h7-10,13-15,17,20-22,30,32,34,40H,6,11-12,16,18-19H2,1-5H3,(H,41,43)(H,42,44)(H,45,48);(H3,1,2,3,4)/t21-,22-,30-,32-,34-;/m0./s1
InChI key:InChIKey=VXUHROJRYQDCID-KLCJFSINSA-N
SMILES:C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@H](C=2NC=3C4=C(C=C5C(=C4)OCC=6C5=CC=C(C6)C=7NC(=NC7)[C@@H]8C[C@H](COC)CN8)C=CC3N2)CC[C@@H]1C.P(=O)(O)(O)O
Synonyms:- Carbamic acid, N-[(1S)-1-[[(2S,5S)-2-[1,11-dihydro-9-[2-[(2S,4S)-4-(methoxymethyl)-2-pyrrolidinyl]-1H-imidazol-5-yl][2]benzopyrano[4′,3′:6,7]naphth[1,2-d]imidazol-2-yl]-5-methyl-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl ester, phosphate (1:3)
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