L-Prolinamide, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1S)-1-[(3aS,4S,6S)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-4-methoxybutyl]-

CAS Registry Number®

184488-31-1

CAS Name

L-Prolinamide, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1S)-1-[(3aS,4S,6S)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-4-methoxybutyl]-

Molecular Formula

C37H50BN3O7

Molecular Mass

659.62

Cite this Page

L-Prolinamide, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1S)-1-[(3aS,4S,6S)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-4-methoxybutyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=184488-31-1 (retrieved 2024-11-21) (CAS RN: 184488-31-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H50BN3O7/c1-36(2)27-22-30(36)37(3)31(23-27)47-38(48-37)32(18-12-20-45-4)40-33(42)29-17-11-19-41(29)34(43)28(21-25-13-7-5-8-14-25)39-35(44)46-24-26-15-9-6-10-16-26/h5-10,13-16,27-32H,11-12,17-24H2,1-4H3,(H,39,44)(H,40,42)/t27-,28+,29-,30-,31?,32+,37-/m0/s1

InChIKey

InChIKey=OPOYAWWWOKBVEB-ZJHRDJRTSA-N

SMILES

C[C@]12[C@@]3(C(C)(C)[C@@](C3)(CC1(OB([C@H](NC(=O)[C@H]4N(C([C@@H](CC5=CC=CC=C5)NC(OCC6=CC=CC=C6)=O)=O)CCC4)CCCOC)O2)[H])[H])[H]

Canonical SMILES

O=C(OCC=1C=CC=CC1)NC(C(=O)N2CCCC2C(=O)NC(B3OC4CC5CC(C4(O3)C)C5(C)C)CCCOC)CC=6C=CC=CC6

Other Names for this Substance

  • L-Prolinamide, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1S)-1-[(3aS,4S,6S)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-4-methoxybutyl]-
  • L-Prolinamide, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[1-(hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl)-4-methoxybutyl]-, [2(S),3aS,4S,6S]-[partial]-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration