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

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

ID: Reference12314

Other Names: NAT3-328190

Formula: C25H25N3O6

Spectral Data

4-({(1S,11aS)-7-[(E)-2-(4-Methoxyphenyl)vinyl]-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 3098
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 12:42:04 PM
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Identificators

InChI InChI=1S/C25H25N3O6/c1-34-17-7-4-15(5-8-17)2-3-16-6-9-19-18(14-16)25(33)28-13-12-20(23(28)24(32)27-19)26-21(29)10-11-22(30)31/h2-9,14,20,23H,10-13H2,1H3,(H,26,29)(H,27,32)(H,30,31)/b3-2+/t20-,23-/m0/s1
InChI Key CENYUPLHBFSAFZ-AMZQEUFUSA-N
Canonical SMILES COC1=CC=C(C=C1)C=CC2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)CCC(=O)O
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Other Names NAT3-328190

In Other Databases

ChemSpider 10115833
PubChem 11941514