Chemical identity

2-((1S,2S)-1-((tert-Butoxycarbonyl)amino)-2-methylbutyl)thiazole-4-carboxylic acid

CAS 112495-91-7 · C14H22N2O4S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-07613
PubChem CID71531025
Name2-((1S,2S)-1-((tert-Butoxycarbonyl)amino)-2-methylbutyl)thiazole-4-carboxylic acid
CAS RN112495-91-7
Molecular formulaC14H22N2O4S
Molecular weight314.40 g/mol
IUPAC name2-((1S,2S)-1-((tert-butoxycarbonyl)amino)-2-methylbutyl)thiazole-4-carboxylic acid
InChIKeyRKOUCOLDVUPOSI-WPRPVWTQSA-N

02Structure identifiers

2D structurePubChem CID 71531025
Two-dimensional chemical structure of 2-((1S,2S)-1-((tert-Butoxycarbonyl)amino)-2-methylbutyl)thiazole-4-carboxylic acid, CAS 112495-91-7
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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC[C@H](C)[C@@H](C1=NC(=CS1)C(=O)O)NC(=O)OC(C)(C)C
InChINot listed
Formula from structureC14H22N2O4S
Molecular weight from structure314.40 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 112495-91-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 112495-91-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Bacitracin

View API and impurity family

Other names

  • Bacitracin Impurity 4
  • 2-((1S,2S)-1-((tert-Butoxycarbonyl)amino)-2-methylbutyl)thiazole-4-carboxylic acid
  • 112495-91-7

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources