Cholest-5-en-3-ol (3β)-, 3-[17-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-19-[bis(1-methylethyl)amino]-22-cyano-6,9,12,15,18,20-hexaoxa-2-aza-19-phosphadocosanoate]

CAS Registry Number®

873435-29-1

CAS Name

Cholest-5-en-3-ol (3β)-, 3-[17-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-19-[bis(1-methylethyl)amino]-22-cyano-6,9,12,15,18,20-hexaoxa-2-aza-19-phosphadocosanoate]

Molecular Formula

C70H106N3O11P

Molecular Mass

1196.58

Cite this Page

Cholest-5-en-3-ol (3β)-, 3-[17-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-19-[bis(1-methylethyl)amino]-22-cyano-6,9,12,15,18,20-hexaoxa-2-aza-19-phosphadocosanoate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=873435-29-1 (retrieved 2024-11-22) (CAS RN: 873435-29-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C70H106N3O11P/c1-51(2)18-15-19-54(7)64-32-33-65-63-31-26-58-48-61(34-36-68(58,8)66(63)35-37-69(64,65)9)83-67(74)72-39-17-40-77-42-43-78-44-45-79-46-47-80-49-62(84-85(82-41-16-38-71)73(52(3)4)53(5)6)50-81-70(55-20-13-12-14-21-55,56-22-27-59(75-10)28-23-56)57-24-29-60(76-11)30-25-57/h12-14,20-30,51-54,61-66H,15-19,31-37,39-50H2,1-11H3,(H,72,74)/t54-,61+,62?,63+,64-,65+,66+,68+,69-,85?/m1/s1

InChIKey

InChIKey=FNJSTUYYFCEZCA-PORNTWEGSA-N

SMILES

C(OCC(OP(N(C(C)C)C(C)C)OCCC#N)COCCOCCOCCOCCCNC(O[C@@H]1CC=2[C@](C)(CC1)[C@@]3([C@@](CC2)([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])[H])[H])=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7

Canonical SMILES

N#CCCOP(OC(COCCOCCOCCOCCCNC(=O)OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)N(C(C)C)C(C)C

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-[17-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-19-[bis(1-methylethyl)amino]-22-cyano-6,9,12,15,18,20-hexaoxa-2-aza-19-phosphadocosanoate]
  • Cholest-5-en-3-ol (3β)-, 17-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-19-[bis(1-methylethyl)amino]-22-cyano-6,9,12,15,18,20-hexaoxa-2-aza-19-phosphadocosanoate
  • Dimethoxytrityloxy-3-O-(N-cholesteryl-3-aminopropyl)triethyleneglycol-glyceryl-2-O-(2-cyanoethyl)(N,N,-diisopropyl)phosphoramidite
  • Cholesteryl TEG phosphoramidite

CAS INSIGHTSTM
Targeted protein degrader structure, illustration