Identiteet

Biotin Impurity 54

Pole loetletud · C24H28N2O4S

01Identiteet

Lazychem ID	LC-46413
CAS RN	Pole loetletud
PubChem CID	11166576
Molecular formula	C24H28N2O4S
Molecular weight	440.6 g/mol
IUPAC name	5-[(3aS,6aR)-1,3-dibenzyl-4-hydroxy-2-oxo-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-yl]pentanoic acid
InChIKey	NWAPBTKLBBUCRF-RJHJHSSFSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Biotin Impurity 54 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C1[C@H]2[C@@H](C(S1)(CCCCC(=O)O)O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI	Pole loetletud

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.