Nα-[(3-{[(4-acetylphenyl)carbamoyl]amino}-1,4,5-trihydroxycyclohexyl)carbonyl]phenylalaninamide

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Systematic / IUPAC Name: 3-[(4-Acetylphenyl)carbamoylamino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,4,5-trihydroxycyclohexane-1-carboxamide

ID: Reference8910

Other Names: Benzenepropanamide, α-[[[3-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4,5-trihydroxycyclohexyl]carbonyl]amino]-;
NAT2-252563

Formula: C25H30N4O7

Spectral Data

Nα-[(3-{[(4-acetylphenyl)carbamoyl]amino}-1,4,5-trihydroxycyclohexyl)carbonyl]phenylalaninamide 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2286
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/18/2019 12:24:10 PM
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Identificators

InChI InChI=1S/C25H30N4O7/c1-14(30)16-7-9-17(10-8-16)27-24(35)29-19-12-25(36,13-20(31)21(19)32)23(34)28-18(22(26)33)11-15-5-3-2-4-6-15/h2-10,18-21,31-32,36H,11-13H2,1H3,(H2,26,33)(H,28,34)(H2,27,29,35)
InChI Key IFVSTIDXHFIVJW-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)NC2CC(CC(C2O)O)(C(=O)NC(CC3=CC=CC=C3)C(=O)N)O
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Other Names Benzenepropanamide, α-[[[3-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4,5-trihydroxycyclohexyl]carbonyl]amino]-;
NAT2-252563

In Other Databases

ChemSpider 3096318
PubChem 3871542