Indole-3-acetyl-L-leucine
PubChem CID: 3945661
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| Compound Synonyms | Indole-3-acetyl-L-leucine, 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoic acid, indole-3-acetyl-leucine, INDOLE-3-ACETYL-LEU, N-(1H-indol-3-ylacetyl)leucine, (indole-3-acetyl)leucine, (indol-3-ylacetyl)leucine, N-(indol-3-ylacetyl)leucine, 858232-71-0, SCHEMBL4859015, (2S)-2-[2-(1H-INDOL-3-YL)ACETAMIDO]-4-METHYLPENTANOIC ACID, CHEBI:133521, DTXSID001345908, DTXSID701345723, N-[(1H-indol-3-yl)acetyl]leucine, STK582320, AKOS000189229, AKOS016286648, Z224143600, 2-[2-(1H-INDOL-3-YL)ACETAMIDO]-4-METHYLPENTANOIC ACID |
|---|---|
| Topological Polar Surface Area | 82.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C16H20N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HCZNPUHZYPPINM-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Rotatable Bond Count | 6.0 |
| Compound Name | Indole-3-acetyl-L-leucine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.147 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 288.147 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.045294257142857 |
| Inchi | InChI=1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21) |
| Smiles | CC(C)CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients