Levitide - ≥97%(HPLC) , CAS No.114281-19-5

CAS: 114281-19-5 Cat. No.: L118999 Molecular Weight: 1542.85 PubChem CID: 3082686

GRADE & PURITY ≥97%(HPLC)

Synonyms

AKOS040744668 | Levitide | L-Glutamamide, 5-oxo-L-prolylglycyl-L-methionyl-L-isoleucylglycyl-L-threonyl-L-leucyl-L-threonyl-L-seryl-L-lysyl-L-arginyl-L-isoleucyl-L-lysyl- | Glu-gly-met-ile-gly-thr-leu-thr-ser-lys-arg-ile-lys-gln-NH(2) | Levitide(9ci)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS040744668 | Levitide | L-Glutamamide, 5-oxo-L-prolylglycyl-L-methionyl-L-isoleucylglycyl-L-threonyl-L-leucyl-L-threonyl-L-seryl-L-lysyl-L-arginyl-L-isoleucyl-L-lysyl- | Glu-gly-met-ile-gly-thr-leu-thr-ser-lys-arg-ile-lys-gln-NH(2) | Levitide(9ci)

Specifications & Purity

≥97%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: CCC(C)C(C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CCSC)NC(=O)CNC(=O)C1CCC(=O)N1
• IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S,3S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-[[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]pentanoyl]amino]acetyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]pentanediamide
• InChIKey: LDCPZBREJGHLQM-MUFHBRNXSA-N
• INCHI: 1S/C66H119N21O19S/c1-10-34(5)50(85-59(100)43(24-28-107-9)77-48(93)30-74-55(96)42-21-23-47(92)76-42)62(103)75-31-49(94)84-52(36(7)89)64(105)82-44(29-33(3)4)60(101)87-53(37(8)90)65(106)83-45(32-88)61(102)80-39(17-12-14-25-67)57(98)79-41(19-16-27-73-66(71)72)58(99)86-51(35(6)11-2)63(104)81-40(18-13-15-26-68)56(97)78-38(54(70)95)20-22-46(69)91/h33-45,50-53,88-90H,10-32,67-68H2,1-9H3,(H2,69,91)(H2,70,95)(H,74,96)(H,75,103)(H,76,92)(H,77,93)(H,78,97)(H,79,98)(H,80,102)(H,81,104)(H,82,105)(H,83,106)(H,84,94)(H,85,100)(H,86,99)(H,87,101)(H4,71,72,73)/t34-,35-,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-,50-,51-,52-,53-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1
• PubChem CID: 3082686
• Molecular Weight: 1542.85

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 Glutamine and derivatives Isoleucine and derivatives Leucine and derivatives Methionine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Serine and derivatives Pyrrolidinecarboxamides Pyrrolidine-2-ones N-acyl amines Primary carboxylic acid amides Lactams Secondary alcohols Guanidines Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Dialkylthioethers Carboximidamides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Glutamine or derivatives - Methionine or derivatives - Isoleucine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Fatty amide - N-acyl-amine - Fatty acyl - 2-pyrrolidone - Pyrrolidone - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Guanidine - Lactam - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Thioether - Carboximidamide - Sulfenyl compound - Dialkylthioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Alcohol - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - Organic oxide - Amine - Aliphatic 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: 1542.800 g/mol
• XLogP3: -6.000
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 54
• Exact Mass: 1541.87 Da
• Monoisotopic Mass: 1541.87 Da
• Topological Polar Surface Area: 696.000 Ų
• Heavy Atom Count: 107
• Formal Charge: 0
• Complexity: 3000.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 16
• 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