2D structurePubChem CID 656604
Identita
Bucillamine
CAS 65002-17-7 · C7H13NO3S2
01Identita
| Lazychem ID | LC-100725 |
|---|---|
| CAS RN | 65002-17-7 |
| PubChem CID | 656604 |
| Molecular formula | C7H13NO3S2 |
| Molecular weight | 223.3 g/mol |
| IUPAC name | (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid |
| InChIKey | VUAFHZCUKUDDBC-BYPYZUCNSA-N |
02Struktura a stereochemie
2D structurePubChem CID 656604
The parsed structure is acyclic, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC(C)(C(=O)N[C@@H](CS)C(=O)O)S |
|---|---|
| InChI | Neuvedeno |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
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.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vztahy
API a mateřské léčivo
Neuvedeno
Názvy a vztahy
- bucillamine
- 65002-17-7
- Tiobutarit
- Bucilamina
- Bucilant
- N-(2-Mercapto-2-methylpropionyl)-L-cysteine
- Bucillaminum
- DTXSID2048587
- R80LRA5WTF
- SA-96
- L-CYSTEINE, N-(2-MERCAPTO-2-METHYL-1-OXOPROPYL)-
- (2R)-2-(2-METHYL-2-SULFANYLPROPANAMIDO)-3-SULFANYLPROPANOIC ACID
06Zdroje
- S01PubChem CID 656604
Structure and machine-readable chemical identifiers.