Identitet

Bortezomib Impurity 89

Ikke angivet · C29H39BN4O4

01Identitet

Lazychem ID	LC-41292
CAS RN	Ikke angivet
PubChem CID	44190342
Molecular formula	C29H39BN4O4
Molecular weight	518.5 g/mol
IUPAC name	N-[(2S)-1-[[(1S)-3-methyl-1-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
InChIKey	HZCSTPSWJFWZHP-AHDWERFKSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Bortezomib Impurity 89 — 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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)[C@@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=NC=CN=C5
InChI	Ikke angivet

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

2 records

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.