N-Methyl-2-[(14E,16S,17S)-8-{methyl[2-(2-pyridinyl)ethyl]amino}-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]-N-(3-pyridinylmethyl)acetamide

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Systematic / IUPAC Name: N-Methyl-2-[(14E,16S,17S)-8-[methyl(2-pyridin-2-ylethyl)amino]-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9,14-tetraen-17-yl]-N-(pyridin-3-ylmethyl)acetamide

ID: Reference12889

Other Names: MC14-529824

Formula: C34H42N6O3

Spectral Data

N-Methyl-2-[(14E,16S,17S)-8-{methyl[2-(2-pyridinyl)ethyl]amino}-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]-N-(3-pyridinylmethyl)acetamide 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 443
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2023 9:01:36 AM
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Identificators

InChI InChI=1S/C34H42N6O3/c1-38(16-13-30-9-3-4-15-37-30)31-10-11-32-29(19-31)22-36-23-34(42)40-17-12-27(28(25-40)8-6-18-43-32)20-33(41)39(2)24-26-7-5-14-35-21-26/h3-11,14-15,19,21,27-28,36H,12-13,16-18,20,22-25H2,1-2H3/b8-6+/t27-,28-/m0/s1
InChI Key UUDNJXMDBDPSPH-QWPUVAJCSA-N
Canonical SMILES CN(CCC1=CC=CC=N1)C2=CC3=C(C=C2)OCC=CC4CN(CCC4CC(=O)N(C)CC5=CN=CC=C5)C(=O)CNC3
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Other Names MC14-529824

In Other Databases

PubChem 71694378
ChemSpider 65321175