Basic information
- CAS
57105-42-7- Standard SMILES
CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
AZEGJHGXTSUPPG-AWEZNQCLSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Overview
Indole-3-acetyl-L-valine is a valine derivative.
Names & identifiers
- Preferred name
- N-(1H-Indol-3-YL-acetyl)valine acid
- IUPAC
- (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
- English name
- N-(3-Indolylacetyl)-L-valine
- Molecular formula
- C15H18N2O3
- Molecular weight
- 274.32
Names & synonyms
N-[1H-INDOL-3-YL-ACETYL]VALINE ACID(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid(2S)-2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acidN-(1H-Indol-3-YL-acetyl)valine acid(2S)-2-(2-(1H-indol-3-yl)acetamido)-3-methylbutanoic acid(2S)-2-((2-(1H-indol-3-yl)acetyl)amino)-3-methylbutanoic acidRefChem:82368457105-42-7N-(3-Indolylacetyl)-L-valineIndole-3-acetyl-L-valine(2-(1H-indol-3-yl)acetyl)-L-valineL-Valine, N-[2-(1H-indol-3-yl)acetyl]-
Show more names
N-(Indol-3-ylacetyl)-L-valineINDOLE-3-ACETYL-L-VALINE(IAVal)N-(3-INDOLYLACETYL)-L-VALINE 99%N-(3-Indolylacetyl)-L-valine USP/EP/BP
(S)-2-(2-(1H-Indol-3-yl)acetamido)-3-methylbutanoic acidMFCD00075402IAA-ValN-(1H-Indol-3-ylacetyl)-L-valineN-[(1H-Indol-3-yl)acetyl]-L-valineIAA-L-VALN-indol-3-ylacetyl-valine23G5YZN5YD
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 196 · 196-199 °C(lit.)
- Boiling point
- 589.4 · 589.4±40.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 3.61 · 3.61±0.10(Predicted)
- Appearance
- Off-white to pink Solid
- Precautionary statements
- 261 · P261-P280
- WGK Germany
- 3 · 3
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2933998090
- Precautionary statements
- P261-P280
Chemistry & industry
Applications
UsesIndole-3-acetyl-L-valine is an indole-3-acetyl-amino acid conjugate involved in regulatory mechanisms for the control of auxin activity during physiological and pathophysiological responses.
Suppliers17 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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