Valyltryptophan

Details

• Internal ID: 1f83dd24-246c-4acf-8cb7-b91ec5dc0f93
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
• IUPAC Name: (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
• InChI: InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
• InChI Key: LZDNBBYBDGBADK-KBPBESRZSA-N
• Popularity: 22 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₁N₃O₃
• Molecular Weight: 303.36 g/mol
• Exact Mass: 303.15829154 g/mol
• Topological Polar Surface Area (TPSA): 108.00 Ų
• XlogP: -1.20

Synonyms

• 24587-37-9
• L-Tryptophan, L-valyl-
• L-Valyl-L-tryptophan
• valyltryptophan
• N-Valyltryptophan
• H-VAL-TRP-OH
• Dipeptide-2
• 3G64B4AFQN
• CHEMBL91777
• (S)-2-((S)-2-Amino-3-methylbutanamido)-3-(1H-indol-3-yl)propanoic acid
• N-L-Valyl-L-tryptophan
• UNII-3G64B4AFQN
• VW dipeptide
• Valyl-Tryptophan
• Dipeptide 2
• V-W Dipeptide
• DIPEPTIDE VW
• DIPEPTIDE VAL-TRP
• Spectrum2_001488
• Spectrum3_001812
• Valine Tryptophan dipeptide
• Valine-Tryptophan dipeptide
• L-Tryptophan, N-L-valyl-
• DIPEPTIDE-2 [INCI]
• BSPBio_003423
• SCHEMBL150533
• SPECTRUM1502210
• SPBio_001475
• CHEBI:92809
• KBio3_002926
• DTXSID40947460
• BDBM50038066
• CCG-39170
• MFCD00037947
• AKOS015914032
• (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
• AS-57858
• CS-0065112
• E75843
• N-(2-Amino-1-hydroxy-3-methylbutylidene)tryptophan
• BRD-K46272620-001-02-2
• Q27164569
• (S)-2-((S)-2-Amino-3-methylbutanamido)-3-(1H-indol-3-yl)propanoicacid
• (2S)-2-[(2S)-2-AMINO-3-METHYLBUTANAMIDO]-3-(1H-INDOL-3-YL)PROPANOIC ACID
• (2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoate
• (S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-indol-3-yl)-propionic acid
• 2-((S)-2-Amino-3-methyl-butyrylamino)-3-(S)-1H-indol-3-yl-propionic acid

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
CHEMBL2581	P07339	Cathepsin D	98.23%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.28%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.99%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.87%	96.09%
CHEMBL1255126	O15151	Protein Mdm4	94.49%	90.20%
CHEMBL221	P23219	Cyclooxygenase-1	92.16%	90.17%
CHEMBL4040	P28482	MAP kinase ERK2	91.81%	83.82%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	89.11%	83.10%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.00%	89.62%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.45%	94.45%
CHEMBL5028	O14672	ADAM10	84.76%	97.50%
CHEMBL3310	Q96DB2	Histone deacetylase 11	84.73%	88.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.39%	95.50%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.80%	93.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.74%	99.17%
CHEMBL2535	P11166	Glucose transporter	81.18%	98.75%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.87%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 168182
• LOTUS: LTS0109190
• wikiData: Q27164569