3-[(2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(4-methoxybenzyl)propanamide

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Systematic / IUPAC Name: 3-[(2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-1-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: Reference12695

Other Names: NAT23-390920

Formula: C23H32N6O3

Spectral Data

3-[(2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(4-methoxybenzyl)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 2880
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/3/2023 11:58:47 AM
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Identificators

InChI InChI=1S/C23H32N6O3/c1-28-17(5-8-21(30)26-13-16-3-6-18(32-2)7-4-16)14-27-23(31)22-19(28)9-12-29(22)15-20-24-10-11-25-20/h3-4,6-7,10-11,17,19,22H,5,8-9,12-15H2,1-2H3,(H,24,25)(H,26,30)(H,27,31)/t17-,19+,22-/m0/s1
InChI Key KXZMWVSWCNPQAZ-KPLVRAHFSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=C(C=C3)OC)CC4=NC=CN4
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Other Names NAT23-390920

In Other Databases

PubChem 45360937
ChemSpider 21383101