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CAS 1000287-05-7

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(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-3-[[[2-[(1-cyclopentyl-4-piperidinyl)amino]-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate

Description:
The chemical substance with the name "(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-3-[[[2-[(1-cyclopentyl-4-piperidinyl)amino]-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate" and CAS number "1000287-05-7" is a complex organic compound characterized by its multi-cyclic structure and various functional groups. It features a hexahydrofurofuran moiety, which contributes to its potential biological activity. The presence of a carbamate group indicates possible interactions with biological systems, particularly in pharmacology. Additionally, the compound contains a benzothiazole moiety, which is often associated with diverse biological activities, including antimicrobial and anticancer properties. The stereochemistry, indicated by the (R) and (S) designations, suggests that the compound may exhibit specific interactions with biological targets, potentially influencing its efficacy and safety profile. Overall, this compound's intricate structure and functional groups suggest it may have significant applications in medicinal chemistry, particularly in drug development.
Formula:C38H53N5O7S2
InChI:InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1
InChI key:InChIKey=JQUNFHFWXCXPRK-AMMMHQJVSA-N
SMILES:N(C=1SC=2C(N1)=CC=C(S(N(C[C@H]([C@H](CC3=CC=CC=C3)NC(O[C@@H]4[C@]5([C@@](OC4)(OCC5)[H])[H])=O)O)CC(C)C)(=O)=O)C2)C6CCN(CC6)C7CCCC7
Synonyms:
  • Carbamic acid, N-[(1S,2R)-3-[[[2-[(1-cyclopentyl-4-piperidinyl)amino]-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
  • (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-3-[[[2-[(1-cyclopentyl-4-piperidinyl)amino]-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • TMC 310911
  • ASC 09
  • MC-310911
  • TMC310911,TMC-310911
  • (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)-2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazole-6-sulfonamido]-1-phenylbutan-2-yl]carbamate
  • (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((2-((1-cyclopentylpiperidin-4-yl)amino)-N-isobutylbenzo[d]thiazole)-6-sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate
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