Identité

Piperacillin Impurity 4

Non indiqué · C41H48N8O10S2

01Identité

Lazychem ID	LC-33450
CAS RN	Non indiqué
PubChem CID	163197596
Molecular formula	C41H48N8O10S2
Molecular weight	877.0 g/mol
IUPAC name	ethyl (2S,5R,6R)-6-[[(2R)-2-[[(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChIKey	PGLXNKBIZSMJNU-YDKVVQEJSA-N

02Structure et stéréochimie

Two-dimensional chemical structure of Piperacillin Impurity 4 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	7
Secondary amines	0
Tertiary amines	0

SMILES	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](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](C5=CC=CC=C5)C(=O)N[C@H]6[C@@H]7N(C6=O)[C@H](C(S7)(C)C)C(=O)OCC
InChI	Non indiqué

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 256Before 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.