SAMS peptide - ≥95% , CAS No.125911-68-4

CAS: 125911-68-4 Cat. No.: S274821 Molecular Weight: 1779.15 PubChem CID: 71773161

GRADE & PURITY ≥95%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Substrate for AMP-activated protein kinase

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CC2=CN=CN2)N
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
• InChIKey: YJAHUEAICBOBTC-CSVPVIMBSA-N
• INCHI: 1S/C74H131N29O18S2/c1-38(2)27-51(66(115)100-53(30-43-32-84-37-90-43)67(116)99-52(28-39(3)4)68(117)103-57(40(5)6)70(119)97-45(15-10-11-21-75)61(110)95-46(16-12-22-85-72(77)78)62(111)98-50(71(120)121)18-14-24-87-74(81)82)92-56(106)33-88-60(109)54(34-104)101-65(114)48(19-25-122-8)93-58(107)41(7)91-69(118)55(35-105)102-63(112)47(17-13-23-86-73(79)80)96-64(113)49(20-26-123-9)94-59(108)44(76)29-42-31-83-36-89-42/h31-32,36-41,44-55,57,104-105H,10-30,33-35,75-76H2,1-9H3,(H,83,89)(H,84,90)(H,88,109)(H,91,118)(H,92,106)(H,93,107)(H,94,108)(H,95,110)(H,96,113)(H,97,119)(H,98,111)(H,99,116)(H,100,115)(H,101,114)(H,102,112)(H,103,117)(H,120,121)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t41-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CN=CN2)N
• PubChem CID: 71773161
• Molecular Weight: 1779.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Histidine and derivatives Methionine and derivatives Leucine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Alanine and derivatives Imidazolyl carboxylic acids and derivatives Aralkylamines N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Guanidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Organic oxides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Histidine or derivatives - Leucine or derivatives - Methionine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - Serine or derivatives - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Imidazolyl carboxylic acid derivative - Aralkylamine - N-acyl-amine - Fatty amide - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Carboxamide group - Amino acid - Guanidine - Secondary carboxylic acid amide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Thioether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Dialkylthioether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Primary alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Alcohol - Primary amine - Amine - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Molecular Weight: 1779.200 g/mol
• XLogP3: -8.500
• Hydrogen Bond Donor Count: 27
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 62
• Exact Mass: 1777.97 Da
• Monoisotopic Mass: 1777.97 Da
• Topological Polar Surface Area: 838.000 Ų
• Heavy Atom Count: 123
• Formal Charge: 0
• Complexity: 3490.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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