Cyclopenin

enlarge

Systematic / IUPAC Name: (3S,3'S)-4-Methyl-3'-phenylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione

ID: Reference7913

Other Names: (3S,3'S)-4-Methyl-3'-phenyl-1H-spiro[1,4-benzodiazepine-3,2'-oxirane]-2,5-dione;
Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, (3S,3'S)-

Formula: C17H14N2O3

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/10/2018 7:05:03 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17-/m0/s1
InChI Key APLKWZASYUZSBL-YOEHRIQHSA-N
Canonical SMILES CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC=CC=C4
CAS
Splash
Other Names (3S,3'S)-4-Methyl-3'-phenyl-1H-spiro[1,4-benzodiazepine-3,2'-oxirane]-2,5-dione;
Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, (3S,3'S)-

In Other Databases

PubChem 92246598
ChemSpider 34998451