Identità

Cilastatin Sulfoxide

Non indicato · C16H26N2O6S

01Identità

Lazychem ID	LC-33019
CAS RN	Non indicato
PubChem CID	169436460
Molecular formula	C16H26N2O6S
Molecular weight	374.5 g/mol
IUPAC name	(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfinyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
InChIKey	OJKHHRCFNCSSIA-BIWWWXBSSA-N

02Struttura e stereochimica

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

The parsed structure contains 1 ring, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	CC1(C[C@@H]1C(=O)N/C(=C\CCCCS(=O)C[C@@H](C(=O)O)N)/C(=O)O)C
InChI	Non indicato

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.