Lhrh (2-10) , CAS No.38280-53-4

CAS: 38280-53-4 Cat. No.: L1230595 EC Number: 636-809-6 PubChem CID: 3081480

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)N
• IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
• InChIKey: XJFYTQZGHCJQNE-YJXWTMGESA-N
• INCHI: 1S/C50H70N16O11/c1-27(2)17-36(45(73)62-35(9-5-15-56-50(53)54)49(77)66-16-6-10-40(66)48(76)58-23-41(52)69)61-42(70)24-59-44(72)37(18-28-11-13-31(68)14-12-28)64-47(75)39(25-67)65-46(74)38(19-29-21-57-34-8-4-3-7-32(29)34)63-43(71)33(51)20-30-22-55-26-60-30/h3-4,7-8,11-14,21-22,26-27,33,35-40,57,67-68H,5-6,9-10,15-20,23-25,51H2,1-2H3,(H2,52,69)(H,55,60)(H,58,76)(H,59,72)(H,61,70)(H,62,73)(H,63,71)(H,64,75)(H,65,74)(H4,53,54,56)/t33-,35-,36-,37-,38-,39-,40-/m0/s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)N
• Alternate CAS: 38280-53-4
• PubChem CID: 3081480
• MeSH Entry Terms: des (pGlu(1))-LHRH;des 1 GnRH;LHRH (2-10);LHRH (2-10), acetate

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Histidine and derivatives Leucine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Serine and derivatives Alpha amino acid amides 3-alkylindoles Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Substituted pyrroles N-acyl amines Imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Guanidines Primary carboxylic acid amides Secondary carboxylic acid amides Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Primary alcohols Carbonyl compounds Monoalkylamines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Histidine or derivatives - Leucine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Serine or derivatives - Alpha-amino acid amide - Triptan - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Amphetamine or derivatives - 3-alkylindole - Indole - Indole or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Pyrrolidine - Azole - Heteroaromatic compound - Imidazole - Primary carboxylic acid amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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: 1071.200 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 29
• Exact Mass: 1070.54 Da
• Monoisotopic Mass: 1070.54 Da
• Topological Polar Surface Area: 442.000 Ų
• Heavy Atom Count: 77
• Formal Charge: 0
• Complexity: 2060.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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