Methyl 1-{3-[(2S,5aS,8aR)-6-benzyl-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanoyl}-4-piperidinecarboxylate

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

ID: Reference11926

Other Names: NAT23-382972

Formula: C25H36N4O4

Spectral Data

Methyl 1-{3-[(2S,5aS,8aR)-6-benzyl-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanoyl}-4-piperidinecarboxylate 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 2403
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2022 12:35:06 PM
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Identificators

InChI InChI=1S/C25H36N4O4/c1-27-20(8-9-22(30)28-13-10-19(11-14-28)25(32)33-2)16-26-24(31)23-21(27)12-15-29(23)17-18-6-4-3-5-7-18/h3-7,19-21,23H,8-17H2,1-2H3,(H,26,31)/t20-,21+,23-/m0/s1
InChI Key XTBFVTURZGXKLG-XJUOHMSHSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCC(CC3)C(=O)OC)CC4=CC=CC=C4
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Other Names NAT23-382972

In Other Databases

PubChem 45360796
ChemSpider 21382958