Azonosítás

Didehydro Clindamycin

Nincs megadva · C18H31ClN2O5S

01Azonosítás

Lazychem ID	LC-34038
CAS RN	Nincs megadva
PubChem CID	145996604
Molecular formula	C18H31ClN2O5S
Molecular weight	423.0 g/mol
IUPAC name	(2S,4Z)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylidenepyrrolidine-2-carboxamide
InChIKey	SCLGFBLOIVDLCE-GGIYZFMMSA-N

02Szerkezet és sztereokémia

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

The parsed structure contains 2 rings, includes aliphatic carbon, has 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	2
Secondary amines	0
Tertiary amines	1

SMILES	CC/C=C\1/C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl
InChI	Nincs megadva

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.