2D structurePubChem CID 98112
Identiteta
1-Methyltryptophan
Ni navedeno · C12H14N2O2
01Identiteta
| Lazychem ID | LC-117209 |
|---|---|
| CAS RN | Ni navedeno |
| PubChem CID | 98112 |
| Molecular formula | C12H14N2O2 |
| Molecular weight | 218.25 g/mol |
| IUPAC name | 2-amino-3-(1-methylindol-3-yl)propanoic acid |
| InChIKey | ZADWXFSZEAPBJS-UHFFFAOYSA-N |
02Struktura in stereokemija
2D structurePubChem CID 98112
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N |
|---|---|
| InChI | Ni navedeno |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
3 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Status v Indiji
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Imena in povezave
API in matično zdravilo
Ni navedeno
Imena in povezave
06Viri
- S01PubChem CID 98112
Structure and machine-readable chemical identifiers.