Identita

Difelikefalin Impurity 14

Neuvedeno · C36H53N7O6

01Identita

Lazychem ID	LC-35074
CAS RN	Neuvedeno
PubChem CID	134154376
Molecular formula	C36H53N7O6
Molecular weight	679.8 g/mol
IUPAC name	4-amino-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
InChIKey	FWMNVWWHGCHHJJ-KRCBVYEFSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Difelikefalin Impurity 14 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)N
InChI	Neuvedeno

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

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.