Identité

9G4A3Uxp7T

Non indiqué · C25H31N5O9S

01Identité

Lazychem IDLC-33635
CAS RNNon indiqué
PubChem CID156028147
Molecular formulaC25H31N5O9S
Molecular weight577.6 g/mol
IUPAC name(2R,4S)-3-acetyl-2-[(R)-carboxy-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
InChIKeyTWEORVZIMOFLDE-MXTNKPTQSA-N

02Structure et stéréochimie

2D structurePubChem CID 156028147
Two-dimensional chemical structure of 9G4A3Uxp7T
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines0
Tertiary amines0
SMILESCCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@@H]([C@@H]3N([C@H](C(S3)(C)C)C(=O)O)C(=O)C)C(=O)O
InChINon indiqué

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Non indiqué

Noms et relations

    Impuretés et composés apparentés

      06Sources