Identidade

Mitiglinide Benzyl Ester

Não indicado · C26H31NO3

01Identidade

Lazychem ID	LC-40329
CAS RN	Não indicado
PubChem CID	54553080
Molecular formula	C26H31NO3
Molecular weight	405.5 g/mol
IUPAC name	benzyl (2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
InChIKey	ZLGJAPPHSNWLBJ-VXNXHJTFSA-N

02Estrutura e estereoquímica

Two-dimensional chemical structure of Mitiglinide Benzyl Ester — 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	C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI	Não indicado

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

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.