Summary

IMPPAT Phytochemical identifier: IMPHY014381

Phytochemical name: N-acetyldiaminobutyric acid

Synonymous chemical names:
n-acetyldiaminobutyric acid

External chemical identifiers:
CID:22364241, SureChEMBL:SCHEMBL5596651

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Chemical structure information

SMILES:
CCC(C(=O)O)(NC(=O)C)N

InChI:
InChI=1S/C6H12N2O3/c1-3-6(7,5(10)11)8-4(2)9/h3,7H2,1-2H3,(H,8,9)(H,10,11)

InChIKey:
IXNUDGNYEQZABZ-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)O))NC=O)C)))N

Functional groups:
CC(=O)NC(C)(N)C(=O)O

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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, Dipeptides

NP-Likeness score: -0.044

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Chemical structure download