Nα-({3-[(3-chloro-4-fluorobenzoyl)amino]-4,5-dihydroxy-1-cyclohexen-1-yl}carbonyl)phenylalaninamide

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Systematic / IUPAC Name: N-[3-[(1-Amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-chloro-4-fluorobenzamide

ID: Reference9578

Other Names: Benzenepropanamide, α-[[[3-[(3-chloro-4-fluorobenzoyl)amino]-4,5-dihydroxy-1-cyclohexen-1-yl]carbonyl]amino]-;
NAT2-252174

Formula: C23H23ClFN3O5

Spectral Data

Nα-({3-[(3-chloro-4-fluorobenzoyl)amino]-4,5-dihydroxy-1-cyclohexen-1-yl}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
No. of Spectral Trees 1
No. of Spectra 3479
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 7:14:03 AM
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Identificators

InChI InChI=1S/C23H23ClFN3O5/c24-15-9-13(6-7-16(15)25)22(32)27-17-10-14(11-19(29)20(17)30)23(33)28-18(21(26)31)8-12-4-2-1-3-5-12/h1-7,9-10,17-20,29-30H,8,11H2,(H2,26,31)(H,27,32)(H,28,33)
InChI Key QGJAEHRBEISOKK-UHFFFAOYSA-N
Canonical SMILES C1C(C(C(C=C1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C3=CC(=C(C=C3)F)Cl)O)O
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Other Names Benzenepropanamide, α-[[[3-[(3-chloro-4-fluorobenzoyl)amino]-4,5-dihydroxy-1-cyclohexen-1-yl]carbonyl]amino]-;
NAT2-252174

In Other Databases

PubChem 3295451
ChemSpider 2544029