Идентичност

Orlistat open ring epimer

Не е посочено · C29H55NO6

01Идентичност

Lazychem ID	LC-39479
CAS RN	Не е посочено
PubChem CID	59434860
Molecular formula	C29H55NO6
Molecular weight	513.7 g/mol
IUPAC name	(2S,3R,5S)-5-[(2S)-2-formamido-4-methylpentanoyl]oxy-2-hexyl-3-hydroxyhexadecanoic acid
InChIKey	FKUNIADJSAJLGB-YIPNQBBMSA-N

02Структура и стереохимия

Two-dimensional chemical structure of Orlistat open ring epimer — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	CCCCCCCCCCC[C@@H](C[C@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O
InChI	Не е посочено

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

4 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.