N-{(1S,11aS)-7-[4-(Methylsulfanyl)phenyl]-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl}cyclopentanecarboxamide

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Systematic / IUPAC Name: N-[(6aS,7S)-2-(4-Methylsulfanylphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]cyclopentanecarboxamide

ID: Reference11490

Other Names: NAT3-328015

Formula: C25H27N3O3S

Spectral Data

N-{(1S,11aS)-7-[4-(Methylsulfanyl)phenyl]-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl}cyclopentanecarboxamide 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 1420
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/23/2022 8:24:20 AM
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Identificators

InChI InChI=1S/C25H27N3O3S/c1-32-18-9-6-15(7-10-18)17-8-11-20-19(14-17)25(31)28-13-12-21(22(28)24(30)26-20)27-23(29)16-4-2-3-5-16/h6-11,14,16,21-22H,2-5,12-13H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m0/s1
InChI Key BBMPCINCJNWVIY-VXKWHMMOSA-N
Canonical SMILES CSC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)C5CCCC5
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Other Names NAT3-328015

In Other Databases

ChemSpider 10115722
PubChem 11941403