Identitet

Cilastatin Sulfoxide

Ikke angivet · C16H26N2O6S

01Identitet

Lazychem IDLC-33019
CAS RNIkke angivet
PubChem CID169436460
Molecular formulaC16H26N2O6S
Molecular weight374.5 g/mol
IUPAC name(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfinyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
InChIKeyOJKHHRCFNCSSIA-BIWWWXBSSA-N

02Struktur og stereokemi

2D structurePubChem CID 169436460
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 stereocentres2
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC1(C[C@@H]1C(=O)N/C(=C\CCCCS(=O)C[C@@H](C(=O)O)N)/C(=O)O)C
InChIIkke angivet

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

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