Aitheantas

Oxacillin Impurity 7

Gan liostú · C27H29N5O7S2

01Aitheantas

Lazychem ID	LC-33588
CAS RN	Gan liostú
PubChem CID	156613739
Molecular formula	C27H29N5O7S2
Molecular weight	599.7 g/mol
IUPAC name	(2S,5R,6R)-6-[[(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKey	PHNPPEKDMNVPRY-VTPJZENASA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of Oxacillin Impurity 7 — 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	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)N[C@H]5[C@@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)O
InChI	Gan liostú

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.