(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

CAS Registry Number®

1000287-05-7

CAS 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

Molecular Formula

C38H53N5O7S2

Molecular Mass

755.99

Cite this Page

(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.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000287-05-7 (retrieved 2024-11-21) (CAS RN: 1000287-05-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

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

Canonical SMILES

O=C(OC1COC2OCCC21)NC(CC=3C=CC=CC3)C(O)CN(CC(C)C)S(=O)(=O)C=4C=CC=5N=C(SC5C4)NC6CCN(CC6)C7CCCC7

Other Names for this Substance

  • 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

Deleted or Replaced CAS Registry Numbers

1370724-63-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration