Calcineurin Substrate - ≥97%(HPLC) , CAS No.113873-67-9

CAS: 113873-67-9 Cat. No.: C118785 分子式: C₉₂H₁₅₀N₂₈O₂₉ 分子量: 2112.35 PubChem CID: 16198110

グレード＆純度 ≥97%(HPLC)

Synonyms

AS-79963 | L-alpha-Aspartyl-L-leucyl-L-alpha-aspartyl-L-valyl-L-prolyl-L-isoleucyl-L-prolylglycyl-L-arginyl-L-phenylalanyl-L-alpha-aspartyl-L-arginyl-L-arginyl-L-valyl-L-seryl-L-valyl-L-alanyl-L-alanyl-L-glutamic acid | DTXSID20583284 | L-Glutamic acid, L

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Amino Acid Sequence Asp-Leu-Asp-Val-Pro-Ile-Pro-Gly-Arg-Phe-Asp-Arg-Arg-Val-Ser-Val-Ala-Ala-Glu

仕様

同義語

AS-79963 | L-alpha-Aspartyl-L-leucyl-L-alpha-aspartyl-L-valyl-L-prolyl-L-isoleucyl-L-prolylglycyl-L-arginyl-L-phenylalanyl-L-alpha-aspartyl-L-arginyl-L-arginyl-L-valyl-L-seryl-L-valyl-L-alanyl-L-alanyl-L-glutamic acid | DTXSID20583284 | L-Glutamic acid, L

仕様と純度

≥97%(HPLC)

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%(HPLC)

名前と識別子

カノニカル・スマイル

CCC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N

IUPAC Name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]pentanedioic acid

InChIKey

CNNRZOUCQVLOST-RBHZDPOXSA-N

INCHI

1S/C92H150N28O29/c1-13-47(10)71(118-84(143)62-28-21-35-120(62)87(146)70(46(8)9)117-81(140)59(40-67(129)130)113-78(137)56(36-43(2)3)110-74(133)51(93)38-65(125)126)88(147)119-34-20-27-61(119)83(142)103-41-63(122)106-52(24-17-31-100-90(94)95)75(134)111-57(37-50-22-15-14-16-23-50)79(138)112-58(39-66(127)128)80(139)108-53(25-18-32-101-91(96)97)76(135)107-54(26-19-33-102-92(98)99)77(136)115-69(45(6)7)86(145)114-60(42-121)82(141)116-68(44(4)5)85(144)105-48(11)72(131)104-49(12)73(132)109-55(89(148)149)29-30-64(123)124/h14-16,22-23,43-49,51-62,68-71,121H,13,17-21,24-42,93H2,1-12H3,(H,103,142)(H,104,131)(H,105,144)(H,106,122)(H,107,135)(H,108,139)(H,109,132)(H,110,133)(H,111,134)(H,112,138)(H,113,137)(H,114,145)(H,115,136)(H,116,141)(H,117,140)(H,118,143)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,148,149)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t47-,48-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-,69-,70-,71-/m0/s1

異性体SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N

WGKドイツ

3

PubChem CID

16198110

分子量

2112.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • 分類 Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• 分類: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Arginine and derivatives Phenylalanine and derivatives Pentacarboxylic acids and derivatives Glutamic acid and derivatives Aspartic acid and derivatives Isoleucine and derivatives Leucine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Valine and derivatives Serine and derivatives Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Guanidines Carboximidamides Azacyclic compounds Carboxylic acids Carbonyl compounds Imines Primary alcohols Monoalkylamines Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Arginine or derivatives - Phenylalanine or derivatives - Pentacarboxylic acid or derivatives - Glutamic acid or derivatives - Aspartic acid or derivatives - Leucine or derivatives - Isoleucine or derivatives - Proline or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Serine or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Organoheterocyclic compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Amine - Primary alcohol - Organic oxide - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Imine - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• 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

化学的性質と物理的性質

• 分子量: 2112.300 g/mol
• XLogP3: -6.900
• Hydrogen Bond Donor Count: 32
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 69
• Exact Mass: 2111.11 Da
• Monoisotopic Mass: 2111.11 Da
• Topological Polar Surface Area: 925.000 Ų
• Heavy Atom Count: 149
• Formal Charge: 0
• Complexity: 4690.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 19
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 113873-67-9, the molecular formula is C92H150N28O29, and the molecular weight is 2112.35 g/mol. InChIKey CNNRZOUCQVLOST-RBHZDPOXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.