Methyl 3-[(2S,5aS,8aR)-6-(isopropylcarbamoyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanoate

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

ID: Reference13068

Other Names: NAT23-382991

Formula: C16H28N4O4

Spectral Data

Methyl 3-[(2S,5aS,8aR)-6-(isopropylcarbamoyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanoate 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 1015
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/20/2024 8:32:22 AM
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Identificators

InChI InChI=1S/C16H28N4O4/c1-10(2)18-16(23)20-8-7-12-14(20)15(22)17-9-11(19(12)3)5-6-13(21)24-4/h10-12,14H,5-9H2,1-4H3,(H,17,22)(H,18,23)/t11-,12+,14-/m0/s1
InChI Key YRUCGTCCGULUMT-SCRDCRAPSA-N
Canonical SMILES CC(C)NC(=O)N1CCC2C1C(=O)NCC(N2C)CCC(=O)OC
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Other Names NAT23-382991

In Other Databases

PubChem 38345003
ChemSpider 22936906