Nα-({1,3,4-trihydroxy-5-[(N-methylleucyl)amino]cyclohexyl}carbonyl)tryptophanamide

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Systematic / IUPAC Name: N-[1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,3,4-trihydroxy-5-[[4-methyl-2-(methylamino)pentanoyl]amino]cyclohexane-1-carboxamide

ID: Reference9570

Other Names: 1H-Indole-3-propanamide, α-[[[1,3,4-trihydroxy-5-[[4-methyl-2-(methylamino)-1-oxopentyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252602

Formula: C25H37N5O6

Spectral Data

Nα-({1,3,4-trihydroxy-5-[(N-methylleucyl)amino]cyclohexyl}carbonyl)tryptophanamide 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 3144
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/3/2020 2:46:28 PM
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Identificators

InChI InChI=1S/C25H37N5O6/c1-13(2)8-18(27-3)23(34)29-19-10-25(36,11-20(31)21(19)32)24(35)30-17(22(26)33)9-14-12-28-16-7-5-4-6-15(14)16/h4-7,12-13,17-21,27-28,31-32,36H,8-11H2,1-3H3,(H2,26,33)(H,29,34)(H,30,35)
InChI Key NEFPCQPWTPIUBU-UHFFFAOYSA-N
Canonical SMILES CC(C)CC(C(=O)NC1CC(CC(C1O)O)(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)O)NC
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Other Names 1H-Indole-3-propanamide, α-[[[1,3,4-trihydroxy-5-[[4-methyl-2-(methylamino)-1-oxopentyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252602

In Other Databases

ChemSpider 3056530
PubChem 3830545