N-Acetyl-β-methyl-L-phenylalanine (1R,2E,4Z,6E)-7-carboxy-1-[(2S)-2-methyl-2-oxiranyl]-2,4,6-heptatrien-1-yl ester

CAS Registry Number®

85146-09-4

CAS Name

N-Acetyl-β-methyl-L-phenylalanine (1R,2E,4Z,6E)-7-carboxy-1-[(2S)-2-methyl-2-oxiranyl]-2,4,6-heptatrien-1-yl ester

Molecular Formula

C23H27NO6

Molecular Mass

413.46

Cite this Page

N-Acetyl-β-methyl-L-phenylalanine (1R,2E,4Z,6E)-7-carboxy-1-[(2S)-2-methyl-2-oxiranyl]-2,4,6-heptatrien-1-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85146-09-4 (retrieved 2025-01-31) (CAS RN: 85146-09-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)

InChIKey

InChIKey=HGSOUJPIFSDBKJ-UHFFFAOYSA-N

SMILES

C(OC(C(C(C)C1=CC=CC=C1)NC(C)=O)=O)(C=CC=CC=CC(O)=O)C2(C)CO2

Canonical SMILES

O=C(O)C=CC=CC=CC(OC(=O)C(NC(=O)C)C(C=1C=CC=CC1)C)C2(OC2)C

Other Names for this Substance

  • L-Phenylalanine, N-acetyl-β-methyl-, (1R,2E,4Z,6E)-7-carboxy-1-[(2S)-2-methyl-2-oxiranyl]-2,4,6-heptatrien-1-yl ester
  • L-Phenylalanine, N-acetyl-β-methyl-, 7-carboxy-1-(2-methyloxiranyl)-2,4,6-heptatrienyl ester, [2S-[2R*[1S*(erythro),2E,4Z,6E]]]-
  • L-Phenylalanine, N-acetyl-β-methyl-, (1R,2E,4Z,6E)-7-carboxy-1-[(2S)-2-methyloxiranyl]-2,4,6-heptatrienyl ester, (βS)-
  • N-Acetyl-β-methyl-L-phenylalanine (1R,2E,4Z,6E)-7-carboxy-1-[(2S)-2-methyl-2-oxiranyl]-2,4,6-heptatrien-1-yl ester
  • Toxin I (Alternaria kikuchiana)

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