Identita

Ceftobiprol medocarilo

Neuvedeno · C26H26N8O11S2

01Identita

Lazychem ID	LC-34880
CAS RN	Neuvedeno
PubChem CID	135456161
Molecular formula	C26H26N8O11S2
Molecular weight	690.7 g/mol
IUPAC name	(6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-3-[(E)-[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	HFTSMHTWUFCYMJ-FDNJTQOMSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Ceftobiprol medocarilo — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C(OC(=O)O1)COC(=O)N2CC[C@H](C2)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N/O)/C6=NSC(=N6)N)SC4)C(=O)O)/C3=O
InChI	Neuvedeno

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

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.