Identitet

Temocapril Hydrochloride

Ikke angivet · C23H29ClN2O5S2

01Identitet

Lazychem ID	LC-107555
CAS RN	Ikke angivet
PubChem CID	443873
Molecular formula	C23H29ClN2O5S2
Molecular weight	513.1 g/mol
IUPAC name	2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;hydrochloride
InChIKey	XDDQNOKKZKHBIX-ASBZXGSUSA-N

02Struktur og stereokemi

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

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	3
Secondary amines	1
Tertiary amines	0

SMILES	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3.Cl
InChI	Ikke angivet

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.