Boc-Lys(Boc)-Pro-OH - ≥98% , CAS No.198475-99-9

CAS: 198475-99-9 Cat. No.: B357342 Fórmula: C₂₁H₃₇N₃O₇ Peso molecular: 443.54 PubChem CID: 56777338

GRAU & PUREZA ≥98%

Synonyms

Boc-Lys(Boc)-Pro-OH | 4,4-[(3,5-Dimethylphenyl)imino]bis-1-butanesulfonicaciddisodiumsalt | DTXSID70718544 | SCHEMBL16924987 | BS-27507 | (2S)-1-[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carboxylic acid | (R)-1-((S)-2,7-bi

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Boc-Lys(Boc)-Pro-OH | 4,4-[(3,5-Dimethylphenyl)imino]bis-1-butanesulfonicaciddisodiumsalt | DTXSID70718544 | SCHEMBL16924987 | BS-27507 | (2S)-1-[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carboxylic acid | (R)-1-((S)-2,7-bi

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488201768

Sorrisos canónicos

CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCC1C(=O)O)NC(=O)OC(C)(C)C

IUPAC Name

(2S)-1-[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carboxylic acid

InChIKey

CNUJKNMOGSRQMN-GJZGRUSLSA-N

INCHI

1S/C21H37N3O7/c1-20(2,3)30-18(28)22-12-8-7-10-14(23-19(29)31-21(4,5)6)16(25)24-13-9-11-15(24)17(26)27/h14-15H,7-13H2,1-6H3,(H,22,28)(H,23,29)(H,26,27)/t14-,15-/m0/s1

SMILES isoméricas

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C

PubChem CID

56777338

Peso molecular

443.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Pyrrolidine carboxylic acids N-acylpyrrolidines Tertiary carboxylic acid amides Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

Propriedades químicas e físicas

• Peso molecular: 443.500 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 443.263 Da
• Monoisotopic Mass: 443.263 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 652.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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