Tapatybė

Bortezomib Impurity 18

Nenurodyta · C28H34BN5O5

01Tapatybė

Lazychem ID	LC-35797
CAS RN	Nenurodyta
PubChem CID	124653927
Molecular formula	C28H34BN5O5
Molecular weight	531.4 g/mol
IUPAC name	[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-[[(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]propanoyl]amino]butyl]boronic acid
InChIKey	WXSBJLWLFBBGKF-CUYJMHBOSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Bortezomib Impurity 18 — 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 3 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=NC=CN=C3)(O)O
InChI	Nenurodyta

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.