methyl 1-[(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(phenylsulfanyl)butyl]piperidine-4-carboxylate; oxalic acid - ≥97% , CAS No.2227199-29-1

CAS: 2227199-29-1 Cat. No.: M632210 PubChem CID: 146013797

GRADE & PURITY ≥97%

Synonyms

2227199-29-1 | methyl 1-[(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(phenylsulfanyl)butyl]piperidine-4-carboxylate | oxalic acid | Methyl 1-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylsulfanylbutyl]piperidine-4-carboxylate | MFCD31697876 | AS-797

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2227199-29-1 | methyl 1-[(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(phenylsulfanyl)butyl]piperidine-4-carboxylate | oxalic acid | Methyl 1-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylsulfanylbutyl]piperidine-4-carboxylate | MFCD31697876 | AS-797

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NC(CCN1CCC(CC1)C(=O)OC)CSC2=CC=CC=C2.C(=O)(C(=O)O)O
• IUPAC Name: methyl 1-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylsulfanylbutyl]piperidine-4-carboxylate;oxalic acid
• InChIKey: LLOQCIKPDNFOSY-GMUIIQOCSA-N
• INCHI: 1S/C22H34N2O4S.C2H2O4/c1-22(2,3)28-21(26)23-18(16-29-19-8-6-5-7-9-19)12-15-24-13-10-17(11-14-24)20(25)27-4;3-1(4)2(5)6/h5-9,17-18H,10-16H2,1-4H3,(H,23,26);(H,3,4)(H,5,6)/t18-;/m1./s1
• PubChem CID: 146013797

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Thiophenol ethers Fatty acid esters Alkylarylthioethers Dicarboxylic acids and derivatives Benzene and substituted derivatives Methyl esters Carbamate esters Trialkylamines Thioenol ethers Organic carbonic acids and derivatives Sulfenyl compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Piperidinecarboxylic acid - Aryl thioether - Thiophenol ether - Alkylarylthioether - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Methyl ester - Carbamic acid ester - Tertiary aliphatic amine - Thioenolether - Tertiary amine - Carbonic acid derivative - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y