(14E,16S,17S)-17-{2-[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-8-{methyl[2-(2-pyridinyl)ethyl]amino}-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-2-one

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Systematic / IUPAC Name: (14E,16S,17S)-17-[2-[(2R)-2-(Methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-[methyl(2-pyridin-2-ylethyl)amino]-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9,14-tetraen-2-one

ID: Reference13079

Other Names: MC14-529778

Formula: C33H45N5O4

Spectral Data

(14E,16S,17S)-17-{2-[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-8-{methyl[2-(2-pyridinyl)ethyl]amino}-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-2-one 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 1397
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/25/2024 4:57:35 PM
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Identificators

InChI InChI=1S/C33H45N5O4/c1-36(16-13-28-8-3-4-14-35-28)29-10-11-31-27(19-29)21-34-22-33(40)37-17-12-25(26(23-37)7-6-18-42-31)20-32(39)38-15-5-9-30(38)24-41-2/h3-4,6-8,10-11,14,19,25-26,30,34H,5,9,12-13,15-18,20-24H2,1-2H3/b7-6+/t25-,26-,30+/m0/s1
InChI Key ADQVBTIBRBZAIC-DYIFAXHMSA-N
Canonical SMILES CN(CCC1=CC=CC=N1)C2=CC3=C(C=C2)OCC=CC4CN(CCC4CC(=O)N5CCCC5COC)C(=O)CNC3
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Other Names MC14-529778

In Other Databases

ChemSpider 65321172
PubChem 71694373