Boc-Leu-OSu - ≥96.0% , CAS No.3392-09-4

CAS: 3392-09-4 Cat. No.: B169704 분자식: C₁₅H₂₄N₂O₆ 분자량: 328.36

등급 & 순도 ≥96.0%

Synonyms

Boc-L-Leu-OSu | AKOS016003058 | Boc-Leu-OSu | SCHEMBL3752138 | Boc-L-Leucine N-hydroxysuccinimide ester | AS-49229 | FD21875 | (S)-2,5-dioxopyrrolidin-1-yl 2-(tert-butoxycarbonylamino)-4-methylpentanoate | AM81885 | WXRGJQZMGGGTSS-JTQLQIEISA-N | N-alpha-t

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

Boc-L-Leu-OSu | AKOS016003058 | Boc-Leu-OSu | SCHEMBL3752138 | Boc-L-Leucine N-hydroxysuccinimide ester | AS-49229 | FD21875 | (S)-2,5-dioxopyrrolidin-1-yl 2-(tert-butoxycarbonylamino)-4-methylpentanoate | AM81885 | WXRGJQZMGGGTSS-JTQLQIEISA-N | N-alpha-t

사양 및 순도

≥96.0%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥96.0%

이름과 식별자

정식 스마일

CC(C)CC(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

InChIKey

WXRGJQZMGGGTSS-JTQLQIEISA-N

INCHI

1S/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)/t10-/m0/s1

이성체 SMILES

CC(C)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C

분자량

328.36

Reaxy-Rn

1552970

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1552970&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
            • Level7 Leucine 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 - Alpha amino acids and derivatives
• Direct Parent: Leucine and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Leucine or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Lactam - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: 328.360 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 328.163 Da
• Monoisotopic Mass: 328.163 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 479.000
• 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