Identita

Doripenem Hydrate

Neuvedeno · C15H26N4O7S2

01Identita

Lazychem ID	LC-104088
CAS RN	Neuvedeno
PubChem CID	636377
Molecular formula	C15H26N4O7S2
Molecular weight	438.5 g/mol
IUPAC name	(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate
InChIKey	NTUBEBXBDGKBTJ-WGLOMNHJSA-N

02Struktura a stereochemie

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

The parsed structure contains 3 rings, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	3
Secondary amines	1
Tertiary amines	0

SMILES	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O.O
InChI	Neuvedeno

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.