His-his-leu-gly-gly-ala-lys-gln-ala-gly-asp-val - ≥99% , CAS No.89105-94-2

CAS: 89105-94-2 Cat. No.: H988556 PubChem CID: 9941719

GRADE & PURITY ≥99%

Storage

Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Specifications & Purity

≥99%

Storage

Desiccated, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)N
• IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoic acid
• InChIKey: STSKWZSBFZRSGP-GYDGUXFESA-N
• INCHI: 1S/C50H80N18O16/c1-24(2)13-33(67-48(81)34(15-29-18-55-23-60-29)66-44(77)30(52)14-28-17-54-22-59-28)45(78)58-19-37(70)56-20-38(71)61-27(6)43(76)64-31(9-7-8-12-51)47(80)65-32(10-11-36(53)69)46(79)62-26(5)42(75)57-21-39(72)63-35(16-40(73)74)49(82)68-41(25(3)4)50(83)84/h17-18,22-27,30-35,41H,7-16,19-21,51-52H2,1-6H3,(H2,53,69)(H,54,59)(H,55,60)(H,56,70)(H,57,75)(H,58,78)(H,61,71)(H,62,79)(H,63,72)(H,64,76)(H,65,80)(H,66,77)(H,67,81)(H,68,82)(H,73,74)(H,83,84)/t26-,27-,30-,31-,32-,33-,34-,35-,41-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CN=CN2)N
• Alternate CAS: 89105-94-2
• PubChem CID: 9941719

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 Glutamine and derivatives Aspartic acid and derivatives Leucine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Imidazolyl carboxylic acids and derivatives Aralkylamines N-acyl amines Dicarboxylic acids and derivatives Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Monoalkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Histidine or derivatives - Glutamine or derivatives - Aspartic acid or derivatives - Leucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Valine or derivatives - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Imidazolyl carboxylic acid derivative - Aralkylamine - Fatty acyl - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Heteroaromatic compound - Azole - Imidazole - Amino acid - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Primary aliphatic amine - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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

• Molecular Weight: 1189.300 g/mol
• XLogP3: -9.700
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 39
• Exact Mass: 1188.6 Da
• Monoisotopic Mass: 1188.6 Da
• Topological Polar Surface Area: 547.000 Ų
• Heavy Atom Count: 84
• Formal Charge: 0
• Complexity: 2310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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