Identità

Darunavir Impurity 13

Non indicato · C25H35N3O7S

01Identità

Lazychem ID	LC-45567
CAS RN	Non indicato
PubChem CID	12071058
Molecular formula	C25H35N3O7S
Molecular weight	521.6 g/mol
IUPAC name	tert-butyl N-[(2S,3S)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
InChIKey	CQGKCZKCWMWXQP-GOTSBHOMSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Darunavir Impurity 13 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	CC(C)CN(C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI	Non indicato

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 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.