Nα-[(1,3,4-trihydroxy-5-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}cyclohexyl)carbonyl]tryptophanamide

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Systematic / IUPAC Name: N-[5-[[1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-2,3,5-trihydroxycyclohexyl]-2-methoxy-4-methylsulfanylbenzamide

ID: Reference8912

Other Names: 1H-Indole-3-propanamide, α-[[[1,3,4-trihydroxy-5-[[2-methoxy-4-(methylthio)benzoyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252596

Formula: C27H32N4O7S

Spectral Data

Nα-[(1,3,4-trihydroxy-5-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}cyclohexyl)carbonyl]tryptophanamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 3090
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/18/2019 12:29:14 PM
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Identificators

InChI InChI=1S/C27H32N4O7S/c1-38-22-10-15(39-2)7-8-17(22)25(35)30-20-11-27(37,12-21(32)23(20)33)26(36)31-19(24(28)34)9-14-13-29-18-6-4-3-5-16(14)18/h3-8,10,13,19-21,23,29,32-33,37H,9,11-12H2,1-2H3,(H2,28,34)(H,30,35)(H,31,36)
InChI Key DSLOUXZJDHBRNT-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)SC)C(=O)NC2CC(CC(C2O)O)(C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)O
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Other Names 1H-Indole-3-propanamide, α-[[[1,3,4-trihydroxy-5-[[2-methoxy-4-(methylthio)benzoyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252596

In Other Databases

PubChem 3873802
ChemSpider 3098511