N-(4-Methoxybenzyl)-3-{(2S,5aS,8aR)-1-methyl-6-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl}propanamide

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Systematic / IUPAC Name: 3-[(2S,5aS,8aR)-1-Methyl-6-[(1-methylbenzimidazol-2-yl)methyl]-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide

ID: Reference11888

Other Names: NAT23-390928

Formula: C28H36N6O3

Spectral Data

N-(4-Methoxybenzyl)-3-{(2S,5aS,8aR)-1-methyl-6-[(1-methyl-1H-benzimidazol-2-yl)methyl]-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl}propanamide 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 1943
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/31/2022 11:47:12 AM
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Identificators

InChI InChI=1S/C28H36N6O3/c1-32-20(10-13-26(35)29-16-19-8-11-21(37-3)12-9-19)17-30-28(36)27-24(32)14-15-34(27)18-25-31-22-6-4-5-7-23(22)33(25)2/h4-9,11-12,20,24,27H,10,13-18H2,1-3H3,(H,29,35)(H,30,36)/t20-,24+,27-/m0/s1
InChI Key CSDPVMMIVOBJIZ-VLUSQRCCSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=C(C=C3)OC)CC4=NC5=CC=CC=C5N4C
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Other Names NAT23-390928

In Other Databases

ChemSpider 21383107
PubChem 45360943