Summary

IMPPAT Phytochemical identifier: IMPHY000613

Phytochemical name: 3-Amino-N-(carboxycarbonyl)alanine

Synonymous chemical names:
3-amino-n-(carboxycarbonyl)alanine, beta-n-oxalylaminoalanine

External chemical identifiers:
CID:107978, ChEBI:173813, FDASRS:Z314VG22WI

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Chemical structure information

SMILES:
NCC(C(=O)O)NC(=O)C(=O)O

InChI:
InChI=1S/C5H8N2O5/c6-1-2(4(9)10)7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey:
FNXJKVNOUQAQMB-UHFFFAOYSA-N

DeepSMILES:
NCCC=O)O))NC=O)C=O)O

Functional groups:
CC(=O)O, CN, CNC(=O)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

NP-Likeness score: 0.278

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Chemical structure download