4-{[(3R,4R)-3-{[4-(Benzyloxy)benzoyl]amino}-4-hydroxy-1-azepanyl]methyl}benzoic acid

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Systematic / IUPAC Name: 4-[[(3R,4R)-4-Hydroxy-3-[(4-phenylmethoxybenzoyl)amino]azepan-1-yl]methyl]benzoic acid

ID: Reference11857

Other Names: NAT10-377071

Formula: C28H30N2O5

Spectral Data

4-{[(3R,4R)-3-{[4-(Benzyloxy)benzoyl]amino}-4-hydroxy-1-azepanyl]methyl}benzoic acid 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 2669
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/17/2022 8:29:44 AM
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Identificators

InChI InChI=1S/C28H30N2O5/c31-26-7-4-16-30(17-20-8-10-23(11-9-20)28(33)34)18-25(26)29-27(32)22-12-14-24(15-13-22)35-19-21-5-2-1-3-6-21/h1-3,5-6,8-15,25-26,31H,4,7,16-19H2,(H,29,32)(H,33,34)/t25-,26-/m1/s1
InChI Key MHFLIOAZJLSYJK-CLJLJLNGSA-N
Canonical SMILES C1CC(C(CN(C1)CC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O
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Other Names NAT10-377071

In Other Databases

PubChem 26742249
ChemSpider 21380034