Идентичност

delta2-Cefotetan

Не е посочено · C17H17N7O8S4

01Идентичност

Lazychem ID	LC-40095
CAS RN	Не е посочено
PubChem CID	56847127
Molecular formula	C17H17N7O8S4
Molecular weight	575.6 g/mol
IUPAC name	(6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
InChIKey	DBSPFHNCVUTGLP-IGTHYWETSA-N

02Структура и стереохимия

Two-dimensional chemical structure of delta2-Cefotetan — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CN1C(=NN=N1)SCC2=CS[C@@H]3[C@@](C(=O)N3C2C(=O)O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC
InChI	Не е посочено

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially 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.