6-D-Ala-gonadorelin , CAS No.51230-19-4

CAS: 51230-19-4 Cat. No.: D1269829 Formula: C₅₆H₇₇N₁₇O₁₃ Peso molecolare: 1196.3 Numero EC: 637-093-8

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

AGONIST

Nomi e identificatori

Sorrisi canonici

C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=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)NC(=O)[C@@H]6CCC(=O)N6

IUPAC Name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

InChIKey

SESQMDHICVIJCF-PCMWHEESSA-N

INCHI

1S/C56H77N17O13/c1-29(2)20-39(50(81)67-38(10-6-18-61-56(58)59)55(86)73-19-7-11-44(73)54(85)63-26-45(57)76)68-47(78)30(3)65-49(80)40(21-31-12-14-34(75)15-13-31)69-53(84)43(27-74)72-51(82)41(22-32-24-62-36-9-5-4-8-35(32)36)70-52(83)42(23-33-25-60-28-64-33)71-48(79)37-16-17-46(77)66-37/h4-5,8-9,12-15,24-25,28-30,37-44,62,74-75H,6-7,10-11,16-23,26-27H2,1-3H3,(H2,57,76)(H,60,64)(H,63,85)(H,65,80)(H,66,77)(H,67,81)(H,68,78)(H,69,84)(H,70,83)(H,71,79)(H,72,82)(H4,58,59,61)/t30-,37+,38+,39+,40+,41+,42+,43+,44+/m1/s1

Peso molecolare

1196.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Classe Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Classe: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Tyrosine and derivatives Phenylalanine and derivatives Histidine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Tryptamines and derivatives Serine and derivatives Alpha amino acid amides Alanine and derivatives 3-alkylindoles Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Pyrrolidine-2-ones N-acyl amines Substituted pyrroles Heteroaromatic compounds Imidazoles Tertiary carboxylic acid amides Secondary carboxylic acid amides Primary carboxylic acid amides Guanidines Lactams Azacyclic compounds Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Histidine or derivatives - Leucine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - Serine or derivatives - Alanine or derivatives - N-substituted-alpha-amino acid - 3-alkylindole - Alpha-amino acid or derivatives - Amphetamine or derivatives - Indole or derivatives - Indole - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Azole - Pyrrolidine - Imidazole - Heteroaromatic compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Lactam - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 1196.300 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 31
• Exact Mass: 1195.59 Da
• Monoisotopic Mass: 1195.59 Da
• Topological Polar Surface Area: 475.000 Ų
• Heavy Atom Count: 86
• Formal Charge: 0
• Complexity: 2420.000
• 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