Summary

IMPPAT Phytochemical identifier: IMPHY017075

Phytochemical name: N-(Trifluoroacetyl)-L-Ala-L-Phe-OMe

Synonymous chemical names:
l-phenylalanine,n-[n-(trifluoroacetyl)-l-alanyl]-,methyl ester

External chemical identifiers:
CID:13751946

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Chemical structure information

SMILES:
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C(F)(F)F)C

InChI:
InChI=1S/C15H17F3N2O4/c1-9(19-14(23)15(16,17)18)12(21)20-11(13(22)24-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,19,23)(H,20,21)/t9-,11-/m0/s1

InChIKey:
MZLFWWZMQCCXJB-ONGXEEELSA-N

DeepSMILES:
COC=O)[C@H]Ccccccc6)))))))NC=O)[C@@H]NC=O)CF)F)F))))C

Functional groups:
CC(=O)NC, CF, CNC(C)=O, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Dipeptides, Tripeptides

NP-Likeness score: -0.467

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Chemical structure download