N-Acetyl-DL-tryptophan

Details

• Internal ID: 7d148670-9390-4275-8e27-fbf9b28b1354
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids
• IUPAC Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid
• SMILES (Canonical): CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
• SMILES (Isomeric): CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
• InChI: InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
• InChI Key: DZTHIGRZJZPRDV-UHFFFAOYSA-N
• Popularity: 153 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄N₂O₃
• Molecular Weight: 246.26 g/mol
• Exact Mass: 246.10044231 g/mol
• Topological Polar Surface Area (TPSA): 82.20 Ų
• XlogP: 1.10

Synonyms

• 87-32-1
• Ac-DL-Trp-OH
• N-Acetyltryptophan
• DL-Acetyltryptophan
• 2-acetamido-3-(1H-indol-3-yl)propanoic acid
• acetyltryptophan
• Tryptophan, N-acetyl-
• DL-N-Acetyltryptophan
• N-Acetyl-DL-tryptophane
• DL-Tryptophan, N-acetyl-
• NSC49124
• MFCD00005644
• NSC 49124
• Tryptophan, N-acetyl-, DL-
• CHEBI:70976
• 4460NBV53F
• N-Acetyl-Trp-OH
• NSC-49124
• N-acetyl tryptophan
• N-Acetyltryptophan #
• Nalpha-acetyl-DL-tryptophan
• N-alpha-Acetyl-DL-Tryptophan
• UNII-4460NBV53F
• MFCD00065021
• MFCD00065976
• NSC-90726
• n-acetyltryptophane
• EINECS 201-739-3
• Acetyl-dl-tryptophan
• N-a-AcetylTryptophan
• N-Acetyl DL-Tryptophan
• N-acetyl-D,L-tryptophan
• d,l-alpha-Acetylamino-3-indolepropionic acid
• Cambridge id 5117020
• N-|A-Acetyl-DL-Tryptophan
• NCIOpen2_005595
• Oprea1_817403
• SCHEMBL57140
• ACETYLTRYPTOPHAN, DL-
• CBDivE_014228
• 2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid
• MLS000686793
• CHEMBL1905494
• ACon1_001308
• BDBM91686
• DZTHIGRZJZPRDV-UHFFFAOYSA-
• ACETYLTRYPTOPHAN [WHO-DD]
• DTXSID40861672
• HMS2271L03
• HMS3372O11
• ACETYLTRYPTOPHAN, DL- [II]
• NSC90726
• CCG-41706
• AKOS000120599
• AKOS016040255
• AM82276
• CS-W012698
• HY-W011982
• N-ACETYLTRYPTOPHAN [EP MONOGRAPH]
• AC-19242
• AC-27041
• NCI60_004180
• SMR000339886
• SY036184
• SY036799
• SY040644
• VS-00668
• A0120
• dl-.alpha.-Acetamidoindole-3-propionic acid
• FT-0629814
• FT-0633493
• FT-0634178
• DL-.alpha.-Acetylamino-3-indolepropionic acid
• EN300-18555
• 2-acetamido-3-(1H-indol-3-yl)-propionic acid
• A-1810
• A13889
• d,l-.alpha.-Acetylamino-3-indolepropionic acid
• 2-Acetylamino-3-(1H-indol-3-yl)propionic acid
• AB00637124-07
• A804795
• SR-01000597217
• J-300264
• SR-01000597217-1
• SR-01000597217-2
• BRD-A18626878-001-01-6
• Q27139225
• Z85881713
• 3AD26BD1-C587-4301-9682-DA13678CE54F
• InChI=1/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.80%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.74%	98.95%
CHEMBL1255126	O15151	Protein Mdm4	94.44%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.82%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.26%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	89.80%	90.17%
CHEMBL3310	Q96DB2	Histone deacetylase 11	85.62%	88.56%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	85.27%	94.62%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.97%	95.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.76%	99.17%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	82.46%	83.10%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.95%	85.14%
CHEMBL5028	O14672	ADAM10	81.86%	97.50%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.31%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.19%	94.45%

Plants that contains it

• Arabidopsis thaliana
• Salsola collina

Cross-Links

• PubChem: 2002
• LOTUS: LTS0013348
• wikiData: Q27139225