Identität

Difelikefalin Impurity 2

Nicht angegeben · C21H31N3O4

01Identität

Lazychem ID	LC-48323
CAS RN	Nicht angegeben
PubChem CID	7093458
Molecular formula	C21H31N3O4
Molecular weight	389.5 g/mol
IUPAC name	(2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
InChIKey	MGUGWUZHHCZELZ-ZWKOTPCHSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Difelikefalin Impurity 2 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 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	2
Secondary amines	0
Tertiary amines	0

SMILES	CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O)N
InChI	Nicht angegeben

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.