Philanthotoxin 74

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Systematic / IUPAC Name: N-{7-[(4-Aminobutyl)amino]heptyl}-nalpha-butyryl-L-tyrosinamide

ID: Reference6229

Other Names: (S)-N-{1-[7-(4-Aminobutylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl}butyramide ;
Benzenepropanamide, N-{7-[(4-aminobutyl)amino]heptyl}-4-hydroxy-α-[(1-oxobutyl)amino], (αS)- ;
PhTx-74

Formula: C24H42N4O3

Spectral Data

Philanthotoxin 74 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 Elite
No. of Spectral Trees 1
No. of Spectra 4614
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/19/2017 9:41:23 AM
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Identificators

InChI InChI=1S/C24H42N4O3/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-8-5-3-4-7-16-26-17-9-6-15-25/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,27,31)(H,28,30)/t22-/m0/s1
InChI Key YKCMCIWNASWOOP-QFIPXVFZSA-N
Canonical SMILES CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCCCCNCCCCN
CAS
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Other Names (S)-N-{1-[7-(4-Aminobutylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl}butyramide ;
Benzenepropanamide, N-{7-[(4-aminobutyl)amino]heptyl}-4-hydroxy-α-[(1-oxobutyl)amino], (αS)- ;
PhTx-74

In Other Databases

PubChem 10122460
ChemSpider 8297980
ChEMBL CHEMBL213645