N-{[(1S,4S,6S)-4-{2-[(4-Cyanobenzyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}cyclopropanecarboxamide

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Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[2-[(4-Cyanophenyl)methylamino]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide

ID: Reference10451

Other Names: NAT28-408375

Formula: C25H33N3O2

Spectral Data

N-{[(1S,4S,6S)-4-{2-[(4-Cyanobenzyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}cyclopropanecarboxamide 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 2
No. of Spectra 4750
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/14/2021 7:43:04 AM
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Identificators

InChI InChI=1S/C25H33N3O2/c1-16(2)23-11-21(17(3)10-22(23)15-28-25(30)20-8-9-20)12-24(29)27-14-19-6-4-18(13-26)5-7-19/h4-7,10,16,20-23H,8-9,11-12,14-15H2,1-3H3,(H,27,29)(H,28,30)/t21-,22-,23-/m0/s1
InChI Key ZJFFXSVSDIYELY-VABKMULXSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)C3CC3
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Other Names NAT28-408375

In Other Databases

ChemSpider 29849331
PubChem 45783897