Bestatin

CAS Registry Number®

58970-76-6

CAS Name

Bestatin

Molecular Formula

C16H24N2O4

Molecular Mass

308.37

Cite this Page

Bestatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58970-76-6 (retrieved 2024-11-21) (CAS RN: 58970-76-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    234.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1

InChIKey

InChIKey=VGGGPCQERPFHOB-RDBSUJKOSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • L-Leucine, N-[(2S,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-
  • L-Leucine, N-(3-amino-2-hydroxy-1-oxo-4-phenylbutyl)-, [S-(R*,S*)]-
  • N-[(2S,3R)-3-Amino-2-hydroxy-1-oxo-4-phenylbutyl]-L-leucine
  • Bestatin
  • NK 421

View All

Deleted or Replaced CAS Registry Numbers

339186-55-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration