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Home > Indoles and Oxindole > 57105-45-0
57105-45-0 | N-(3-Indolylacetyl)-L-isoleucine
CAS No: 57105-45-0 Catalog No: AG003SB3 MDL No:
Product Description
Catalog Number:
AG003SB3
Chemical Name:
N-(3-Indolylacetyl)-L-isoleucine
CAS Number:
57105-45-0
Molecular Formula:
C16H20N2O3
Molecular Weight:
288.3416
IUPAC Name:
(2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)/t10-,15-/m0/s1
InChI Key:
WPTUQMUCTTVOFW-BONVTDFDSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
288.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.347g/mol
Monoisotopic Mass:
288.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Characterization of an Arabidopsis enzyme family that conjugates amino acids to indole-3-acetic acid. | The Plant cell 20050201 |
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