Tunnistetiedot

Oxacillin Impurity 17

Ei ilmoitettu · C27H31N5O8S2

01Tunnistetiedot

Lazychem ID	LC-34406
CAS RN	Ei ilmoitettu
PubChem CID	139024605
Molecular formula	C27H31N5O8S2
Molecular weight	617.7 g/mol
IUPAC name	(2S,5R,6R)-6-[[(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKey	VPSGOHMBUXSFMC-KCPUJOARSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Oxacillin Impurity 17 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)N[C@H]4[C@@H]5N(C4=O)[C@H](C(S5)(C)C)C(=O)O
InChI	Ei ilmoitettu

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

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.