Identita

(2S,4S)-2-(Boc-amino)-4-methylpentanedinitrile

Neuvedené · C11H17N3O2

01Identita

Lazychem ID	LC-40887
CAS RN	Neuvedené
PubChem CID	46829921
Molecular formula	C11H17N3O2
Molecular weight	223.27 g/mol
IUPAC name	tert-butyl N-[(1S,3S)-1,3-dicyanobutyl]carbamate
InChIKey	PQDKBXHVLRYZQQ-IUCAKERBSA-N

02Štruktúra a stereochémia

Two-dimensional chemical structure of (2S,4S)-2-(Boc-amino)-4-methylpentanedinitrile — 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 2 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	C[C@@H](C[C@@H](C#N)NC(=O)OC(C)(C)C)C#N
InChI	Neuvedené

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.