(2S,5aS,8aR)-2-{3-[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1-methyl-6-(2-thienylmethyl)octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

enlarge

Systematic / IUPAC Name: (2S,5aS,8aR)-2-[3-[(2R)-2-(Methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-methyl-6-(thiophen-2-ylmethyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one

ID: Reference10991

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-2-[3-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl]-1-methyl-6-(2-thienylmethyl)-, (2S,5aS,8aR)-;
NAT23-391277

Formula: C22H34N4O3S

Spectral Data

(2S,5aS,8aR)-2-{3-[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1-methyl-6-(2-thienylmethyl)octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-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 1
No. of Spectra 2415
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2021 7:01:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H34N4O3S/c1-24-16(7-8-20(27)26-10-3-5-17(26)15-29-2)13-23-22(28)21-19(24)9-11-25(21)14-18-6-4-12-30-18/h4,6,12,16-17,19,21H,3,5,7-11,13-15H2,1-2H3,(H,23,28)/t16-,17+,19+,21-/m0/s1
InChI Key MJHUXKVIVQXWKG-DIJFTKHXSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCCC3COC)CC4=CC=CS4
CAS
Splash
Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-2-[3-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl]-1-methyl-6-(2-thienylmethyl)-, (2S,5aS,8aR)-;
NAT23-391277

In Other Databases

PubChem 45361174
ChemSpider 21383339