Summary

IMPPAT Phytochemical identifier: IMPHY002371

Phytochemical name: Gamma-l-glutamyl-l-beta-phenyl-beta-alanine

Synonymous chemical names:
gamma-l-glutamyl-l-beta-phenyl-beta-alanine

Chemical structure information

SMILES:
OC(=O)C(/N=C(/CCC(C(=O)O)N)O)Cc1ccccc1

InChI:
InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)

InChIKey:
XHHOHZPNYFQJKL-UHFFFAOYSA-N

DeepSMILES:
OC=O)C/N=C/CCCC=O)O))N))))O)))Ccccccc6

Functional groups:
C/N=C(/C)O, CC(=O)O, CN

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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: Aminoacids

NP-Likeness score: 0.697

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Chemical structure download