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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino DPPI 1c hydrochloride , CAS No.D669136
Synonyms
DPPI 1c hydrochloride|(2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)acetyl)pyrrolidine-2,5-dicarbonitrile|Rel-(2R,5S)-1-((1-(hydroxymethyl)cyclopentyl)glycyl)pyrrolidine-2,5-dicarbonitrile
Specifiche Sinonimi
DPPI 1c hydrochloride | (2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)acetyl)pyrrolidine-2,5-dicarbonitrile | Rel-(2R,5S)-1-((1-(hydroxymethyl)cyclopentyl)glycyl)pyrrolidine-2,5-dicarbonitrile
Condizioni di conservazione di stoccaggio
Room temperature
Proprietà del prodotto Nomi e identificatori Sorrisi canonici
C1CCC(C1)(CO)NCC(=O)N2C(CCC2C#N)C#N
IUPAC Name
(2R,5S)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile
InChIKey
VZOVKVCGZDERPK-TXEJJXNPSA-N
INCHI
1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
Isomeri SMILES
C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N
Dati avanzati Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Classe Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Alpha amino acid amides Alternative Parents N-acylpyrrolidines Tertiary carboxylic acid amides 1,2-aminoalcohols Nitriles Dialkylamines Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteromonocyclic compounds Substituents Alpha-amino acid amide - N-acylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - 1,2-aminoalcohol - Carboxamide group - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Alcohol - Organic oxide - Organic nitrogen compound - Cyanide - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Aliphatic heteromonocyclic compound Descrizione This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 276.330 g/mol XLogP3 -0.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 276.159 Da Monoisotopic Mass 276.159 Da Topological Polar Surface Area 100.000 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 442.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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
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