1-[1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl]-1-butanone

CAS Registry Number®

457893-92-4

CAS Name

1-[1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl]-1-butanone

Molecular Formula

C32H41N5O4

Molecular Mass

559.70

Cite this Page

1-[1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl]-1-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=457893-92-4 (retrieved 2024-11-22) (CAS RN: 457893-92-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H41N5O4/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39)/t27-,28+/m0/s1

InChIKey

InChIKey=GULVVTHHUIIMRL-WUFINQPMSA-N

SMILES

C(CCC)(=O)C1(CCN(C([C@@H](CC2=CC=C(OC)C=C2)NC([C@H](CC3=CN=CN3C)N)=O)=O)CC1)C4=CC=CC=C4

Canonical SMILES

O=C(NC(C(=O)N1CCC(C=2C=CC=CC2)(C(=O)CCC)CC1)CC3=CC=C(OC)C=C3)C(N)CC4=CN=CN4C

Other Names for this Substance

  • 1-Butanone, 1-[1-(3-methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl]-
  • 1H-Imidazole-5-propanamide, α-amino-N-[(1R)-1-[(4-methoxyphenyl)methyl]-2-oxo-2-[4-(1-oxobutyl)-4-phenyl-1-piperidinyl]ethyl]-1-methyl-, (αS)-
  • 1-[1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl]-1-butanone
  • BMS 470539

CAS INSIGHTSTM
Targeted protein degrader structure, illustration