Boc-d-4-thiazolylalanine - ≥95% , CAS No.134107-69-0

CAS: 134107-69-0 Cat. No.: B181237 분자식: C₁₁H₁₆N₂O₄S 분자량: 272.3 EC 번호: 812-375-5

GRADE & PURITY ≥95%

Synonyms

A50217 | AKOS016843050 | (alphaR)-alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-thiazolepropanoic acid | RVXBTZJECMMZSB-MRVPVSSYSA-N | BOC-D-4-THIAZOLYLALANINE | Boc-3-(4-thiazolyl)-D-alanine | Boc-D-4-thiazolylalanine, AldrichCPR | (2R)-2-[(tert-butoxyca

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

A50217 | AKOS016843050 | (alphaR)-alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-thiazolepropanoic acid | RVXBTZJECMMZSB-MRVPVSSYSA-N | BOC-D-4-THIAZOLYLALANINE | Boc-3-(4-thiazolyl)-D-alanine | Boc-D-4-thiazolylalanine, AldrichCPR | (2R)-2-[(tert-butoxyca

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• 정식 스마일: CC(C)(C)OC(=O)NC(CC1=CSC=N1)C(=O)O
• IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
• InChIKey: RVXBTZJECMMZSB-MRVPVSSYSA-N
• INCHI: 1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-8(9(14)15)4-7-5-18-6-12-7/h5-6,8H,4H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1
• 이성체 SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CSC=N1)C(=O)O
• 분자량: 272.3
• Reaxy-Rn: 49503056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49503056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thiazoles Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Azole - Thiazole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

화학 및 물리적 특성

• 분자량: 272.320 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 272.083 Da
• Monoisotopic Mass: 272.083 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 317.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1