Identita

Agaritine

Neuvedené · C12H17N3O4

01Identita

Lazychem IDLC-50988
CAS RNNeuvedené
PubChem CID439517
Molecular formulaC12H17N3O4
Molecular weight267.28 g/mol
IUPAC name(2S)-2-amino-5-[2-[4-(hydroxymethyl)phenyl]hydrazinyl]-5-oxopentanoic acid
InChIKeySRSPQXBFDCGXIZ-JTQLQIEISA-N

02Štruktúra a stereochémia

2D structurePubChem CID 439517
Two-dimensional chemical structure of Agaritine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres1
Ring count1
Secondary amines1
Tertiary amines0
SMILESC1=CC(=CC=C1CO)NNC(=O)CC[C@@H](C(=O)O)N
InChINeuvedené

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04Stav v Indii

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

05Názvy a vzťahy

API a materské liečivo

Neuvedené

Názvy a vzťahy

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      06Zdroje