Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018306

Phytochemical name: N-acetyl-l-tyrosinamide

Synonymous chemical names:
N-Acetyl-L-tyrosinamide

External chemical identifiers:
CID:CID_735956, ZINC:ZINC000000154679, FDASRS:X315200H5U, SureChEMBL:SCHEMBL468899, Molport-001-794-332

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Chemical structure information

SMILES:
NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C

InChI:
InChI=1S/C11H14N2O3/c1-7(14)13-10(11(12)16)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6H2,1H3,(H2,12,16)(H,13,14)/t10-/m0/s1

InChIKey:
RJNKBEQRBIJDNM-JTQLQIEISA-N

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

Functional groups:
CC(N)=O, cO, CC(=O)NC

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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: Alkaloids

NP Classifier Superclass: Peptide alkaloids

NP Classifier Class: Simple amide alkaloids

NP-Likeness score: 0.092

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Chemical structure download