Identiteta

Biotin Impurity 13

Ni navedeno · C24H28N2O3S

01Identiteta

Lazychem ID	LC-46515
CAS RN	Ni navedeno
PubChem CID	11101963
Molecular formula	C24H28N2O3S
Molecular weight	424.6 g/mol
IUPAC name	5-[(3aS,4R,6aR)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChIKey	PGESDSQUYHPLRY-XJUOHMSHSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Biotin Impurity 13 — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	0
Tertiary amines	0

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

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

2 records

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.