4-{[(1S,11aS)-7-(5-Chloro-2-methoxyphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]amino}-4-oxobutanoic acid

enlarge

Systematic / IUPAC Name: 4-[[(6aS,7S)-2-(5-Chloro-2-methoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]amino]-4-oxobutanoic acid

ID: Reference12309

Other Names: NAT3-328125

Formula: C23H22ClN3O6

Spectral Data

4-{[(1S,11aS)-7-(5-Chloro-2-methoxyphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]amino}-4-oxobutanoic acid 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
No. of Spectral Trees 1
No. of Spectra 3194
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 12:18:48 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H22ClN3O6/c1-33-18-5-3-13(24)11-14(18)12-2-4-16-15(10-12)23(32)27-9-8-17(21(27)22(31)26-16)25-19(28)6-7-20(29)30/h2-5,10-11,17,21H,6-9H2,1H3,(H,25,28)(H,26,31)(H,29,30)/t17-,21-/m0/s1
InChI Key JLZVZZPSTREHGE-UWJYYQICSA-N
Canonical SMILES COC1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)CCC(=O)O
CAS
Splash
Other Names NAT3-328125

In Other Databases

PubChem 11941473
ChemSpider 10115792