N-Benzyl-3-[(2S,5aS,8aR)-1-methyl-5-oxo-6-(2-thienylmethyl)decahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide

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

ID: Reference10990

Other Names: Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-1-methyl-5-oxo-N-(phenylmethyl)-6-(2-thienylmethyl)-, (2S,5aS,8aR)-;
NAT23-390939

Formula: C23H30N4O2S

Spectral Data

N-Benzyl-3-[(2S,5aS,8aR)-1-methyl-5-oxo-6-(2-thienylmethyl)decahydropyrrolo[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 1515
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2021 7:00:09 AM
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Identificators

InChI InChI=1S/C23H30N4O2S/c1-26-18(9-10-21(28)24-14-17-6-3-2-4-7-17)15-25-23(29)22-20(26)11-12-27(22)16-19-8-5-13-30-19/h2-8,13,18,20,22H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t18-,20+,22-/m0/s1
InChI Key VMZWOVDYQXXGDY-DWLFOUALSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=CC=C3)CC4=CC=CS4
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-1-methyl-5-oxo-N-(phenylmethyl)-6-(2-thienylmethyl)-, (2S,5aS,8aR)-;
NAT23-390939

In Other Databases

PubChem 45360953
ChemSpider 21383117