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

enlarge

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

ID: Reference10120

Other Names: 2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecin-10(11H)-one, 5,6,7,8,12,13-hexahydro-6-[2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-15-(1-piperazinyl)-, (3E,5S,6S)-;
MC14-529574

Formula: C29H43N5O4

Spectral Data

(14E,16S,17S)-17-{2-[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-8-(1-piperazinyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2826
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/3/2020 1:58:54 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C29H43N5O4/c1-37-21-26-5-2-11-34(26)28(35)17-22-8-12-33-20-23(22)4-3-15-38-27-7-6-25(32-13-9-30-10-14-32)16-24(27)18-31-19-29(33)36/h3-4,6-7,16,22-23,26,30-31H,2,5,8-15,17-21H2,1H3/b4-3+/t22-,23-,26+/m0/s1
InChI Key QILBLIUSTIBAMI-AUHRLHRGSA-N
Canonical SMILES COCC1CCCN1C(=O)CC2CCN3CC2C=CCOC4=C(CNCC3=O)C=C(C=C4)N5CCNCC5
CAS
Splash
Other Names 2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecin-10(11H)-one, 5,6,7,8,12,13-hexahydro-6-[2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-15-(1-piperazinyl)-, (3E,5S,6S)-;
MC14-529574

In Other Databases

ChemSpider 65321158
PubChem 71694355