N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide

CAS Registry Number®

228266-40-8

CAS Name

N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide

Molecular Formula

C27H43N3O4

Molecular Mass

473.65

Cite this Page

N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=228266-40-8 (retrieved 2024-11-22) (CAS RN: 228266-40-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-137 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H43N3O4/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34)/b18-16+/t20-,21-,22-/m1/s1

InChIKey

InChIKey=CNTMOLDWXSVYKD-PSRNMDMQSA-N

SMILES

[C@H](C(C)(C)C1=CC=CC=C1)(C(N[C@H](C(N([C@H](/C=C(/C(O)=O)\C)C(C)C)C)=O)[C@@](C)(C)C)=O)NC

Canonical SMILES

O=C(O)C(=CC(N(C(=O)C(NC(=O)C(NC)C(C=1C=CC=CC1)(C)C)C(C)(C)C)C)C(C)C)C

Other Names for this Substance

  • L-Valinamide, N,β,β-trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-
  • L-Valinamide, N,β,β-trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-butenyl]-N,3-dimethyl-
  • N,β,β-Trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valinamide
  • SPA 110
  • HTI 286

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration