Peptide M - ≥95% , CAS No.110652-62-5

CAS: 110652-62-5 Cat. No.: P948275 PubChem CID: 16208244

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)N
• IUPAC Name: (4S)-4-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
• InChIKey: BHGSMPANCMIOOB-HMAOBDLHSA-N
• INCHI: 1S/C81H141N21O31/c1-15-37(8)59(75(126)93-50(31-57(114)115)72(123)88-46(23-19-21-27-83)69(120)101-63(42(13)106)79(130)97-58(36(6)7)81(132)133)96-54(109)32-86-67(118)47(24-25-55(110)111)89-68(119)45(22-18-20-26-82)90-76(127)60(38(9)16-2)98-77(128)61(39(10)17-3)99-80(131)64(43(14)107)102-74(125)52(34-104)95-73(124)51(33-103)94-65(116)40(11)87-70(121)48(28-35(4)5)91-71(122)49(30-53(85)108)92-78(129)62(41(12)105)100-66(117)44(84)29-56(112)113/h35-52,58-64,103-107H,15-34,82-84H2,1-14H3,(H2,85,108)(H,86,118)(H,87,121)(H,88,123)(H,89,119)(H,90,127)(H,91,122)(H,92,129)(H,93,126)(H,94,116)(H,95,124)(H,96,109)(H,97,130)(H,98,128)(H,99,131)(H,100,117)(H,101,120)(H,102,125)(H,110,111)(H,112,113)(H,114,115)(H,132,133)/t37-,38-,39-,40-,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-,60-,61-,62-,63-,64-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)N
• PubChem CID: 16208244
• MeSH Entry Terms: Asp-Thr-Asp-Leu-Ala-Ser-Ser-Thr-Ile-Ile-Lys-Glu-Gly-Ile-Asp-Lys-Thr-Val;peptide M;peptide M, retinal S antigen;peptide M18, retinal

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 Glutamic acid and derivatives Aspartic acid and derivatives Asparagine and derivatives Isoleucine and derivatives Leucine and derivatives Valine and derivatives Tetracarboxylic acids and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Alanine and derivatives N-acyl amines Amino acids Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polypeptide - Alpha peptide - Glutamic acid or derivatives - Leucine or derivatives - Isoleucine or derivatives - Aspartic acid or derivatives - Asparagine or derivatives - Tetracarboxylic acid or derivatives - Valine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Fatty acyl - N-acyl-amine - Fatty amide - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Primary aliphatic amine - Primary alcohol - Alcohol - Primary amine - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic 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: 1905.100 g/mol
• XLogP3: -14.200
• Hydrogen Bond Donor Count: 30
• Hydrogen Bond Acceptor Count: 34
• Rotatable Bond Count: 66
• Exact Mass: 1904.01 Da
• Monoisotopic Mass: 1904.01 Da
• Topological Polar Surface Area: 866.000 Ų
• Heavy Atom Count: 133
• Formal Charge: 0
• Complexity: 3960.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 23
• 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