Identità

Difelikefalin Dimer Impurity 1

Mhux elenkat · C72H104N14O11

01Identità

Lazychem IDLC-12884
CAS RNMhux elenkat
PubChem CID176488351
Molecular formulaC72H104N14O11
Molecular weight1341.7 g/mol
IUPAC name1-(N2-D-phenylalanyl-D-phenylalanyl-D-leucyl-N6-(1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-4-aminopiperidine-4-carbonyl)-D-lysyl)-4-aminopiperidine-4-carboxylic acid
InChIKeyCGHUTENSKMKEMO-IXEFOUQMSA-N

02Struttura u stereokimika

2D structurePubChem CID 176488351
Two-dimensional chemical structure of Difelikefalin Dimer Impurity 1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres8
Ring count6
Secondary amines0
Tertiary amines0
SMILESCC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)(C(=O)NCCCC[C@H](C(=O)N2CCC(CC2)(C(=O)O)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)N)N)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H](CC6=CC=CC=C6)N
InChIMhux elenkat

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status fl-Indja

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Ismijiet u relazzjonijiet

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Difelikefalin

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