N-(3-Indolylacetyl)-L-isoleucine

HCID 644226
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
57105-45-0
Standard SMILES
CC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
Molecular formula
C16H20N2O3
Average molar mass
288.34 g/mol
Monoisotopic mass
288.1473925

Overview

N-(3-Indolylacetyl)-L-isoleucine has been reported in Solanum lycopersicum with data available.

Names & identifiers

Preferred name
N-(3-Indolylacetyl)-L-isoleucine
IUPAC
(2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid
English name
N-(3-Indolylacetyl)-L-isoleucine
Molecular formula
C16H20N2O3
Molecular weight
288.34

Names & synonyms

N-(3-Indolylacetyl)-L-isoleucine57105-45-0(2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid(2S,3S)-2-((2-(1H-indol-3-yl)acetyl)amino)-3-methylpentanoic acidRefChem:1091171(2S,3S)-2-(2-(1H-Indol-3-yl)acetamido)-3-methylpentanoic acidMFCD00075401Indole-3-acetyl-L-isoleucine(2-(1H-indol-3-yl)acetyl)-L-isoleucineIAA-L-Ile(2S,3S)-2-[2-(1H-INDOL-3-YL)ACETAMIDO]-3-METHYLPENTANOIC ACIDIAA-Ile
Show more names
INDOLE-3-ACETYL-L-ISOLEUCINE (IAIleu)N-(3-Indolylacetyl)-L-isoleucine USP/EP/BPL-Isoleucine, N-[2-(1H-indol-3-yl)acetyl]-N-(3-Indolylacetyl)-L-isoleucine, Indole-3-acetyl-L-isoleucine, 99%(2S,3R)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-3-methylpentanoic acid
L-isoleucine, N-(1H-indol-3-ylacetyl)-SCHEMBL503296SCHEMBL29557017DTXSID80972574N-(indol-3-ylacetyl)-l-isoleucine(2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methyl-pentanoic acidAKOS010367623FI30393

Database identifiers

CAS
57105-45-0
PubChem CID
644226
DTXSID
DTXSID80972574
Nikkaji
J1.436.055G

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
82.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
21

Physicochemical properties

Melting point
182 · 182-183 °C(lit.)
Boiling point
591.366 · 591.366±40.00 °C(Press: 760.00 Torr)(predicted)
Density
1.227 · 1.227±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
3.657 · 3.657±0.10(predicted)
optical activity
20 · [α]20/D +6°, c = 3 in methanol
WGK Germany
3 · 3

Safety & regulation

Safety data

wgk
3
hs_code
29339980

Chemistry & industry

Applications

UsesIndole-3-acetyl-L-isoleucine is an indole-3-acetyl-amino acid conjugate involved in regulatory mechanisms for the control of auxin activity during physiological and pathophysiological responses.

Suppliers15 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…