化学标识

Difelikefalin Impurity 8

未列出 · C39H59N7O6

01化学标识

Lazychem ID	LC-40628
CAS RN	未列出
PubChem CID	53380609
Molecular formula	C39H59N7O6
Molecular weight	721.9 g/mol
IUPAC name	4-amino-1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]piperidine-4-carboxylic acid
InChIKey	QOBUOFLFAMKOJJ-XEXPGFJZSA-N

02结构与立体化学

Two-dimensional chemical structure of Difelikefalin Impurity 8 — 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	1
Tertiary amines	0

SMILES	CC(C)C[C@H](C(=O)N[C@H](CCCCNC(C)C)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	未列出

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.