PF-03550096

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Systematic / IUPAC Name: N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-3-(3-hydroxy-3-methylbutyl)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide

ID: Reference5121

Other Names: N-[(1S)-1-(Aminocarbonyl)-2,2-dimethylpropyl]-3-(3-hydroxy-3-methylbutyl)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide ;
N-[(1S)-1-(Aminocarbonyl)-2,2-dimethylpropyl]-2,3-dihydro-3-(3-hydroxy-3-methylbutyl)-2-oxo-1H-benzimidazole-1-carboxamide;
N-[(2S)-1-Amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-2-oxobenzimidazole-1-carboxamide;
1H-Benzimidazole-1-carboxamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-2,3-dihydro-3-(3-hydroxy-3-methylbutyl)-2-oxo-

Formula: C19H28N4O4

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

PF-03550096 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 108
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/11/2016 11:59:48 AM
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Identificators

InChI InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t14-/m1/s1
InChI Key GGNIFXBIJCNXCT-CQSZACIVSA-N
Canonical SMILES CC(C)(C)C(C(=O)N)NC(=O)N1C2=CC=CC=C2N(C1=O)CCC(C)(C)O
CAS 910376395
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Other Names N-[(1S)-1-(Aminocarbonyl)-2,2-dimethylpropyl]-3-(3-hydroxy-3-methylbutyl)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide ;
N-[(1S)-1-(Aminocarbonyl)-2,2-dimethylpropyl]-2,3-dihydro-3-(3-hydroxy-3-methylbutyl)-2-oxo-1H-benzimidazole-1-carboxamide;
N-[(2S)-1-Amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-2-oxobenzimidazole-1-carboxamide;
1H-Benzimidazole-1-carboxamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-2,3-dihydro-3-(3-hydroxy-3-methylbutyl)-2-oxo-

In Other Databases

Wikipedia PF-03550096
ChemSpider 21378519
PubChem 24857887
ChEMBL CHEMBL506652