N-[(1R,5R,6R)-3-{[(2S)-1-Amino-4-(methylsulfonyl)-1-oxo-2-butanyl]carbamoyl}-5,6-dihydroxy-2-cyclohexen-1-yl]-4-methylbenzamide

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Systematic / IUPAC Name: N-[(1R,5R,6R)-3-[[(2S)-1-Amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-4-methylbenzamide

ID: Reference10483

Other Names: Benzamide, N-[(1R,5R,6R)-3-[[[(1S)-1-(aminocarbonyl)-3-(methylsulfonyl)propyl]amino]carbonyl]-5,6-dihydroxy-2-cyclohexen-1-yl]-4-methyl-;
NAT2-17081

Formula: C20H27N3O7S

Spectral Data

N-[(1R,5R,6R)-3-{[(2S)-1-Amino-4-(methylsulfonyl)-1-oxo-2-butanyl]carbamoyl}-5,6-dihydroxy-2-cyclohexen-1-yl]-4-methylbenzamide 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 2380
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/21/2021 12:40:14 PM
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Identificators

InChI InChI=1S/C20H27N3O7S/c1-11-3-5-12(6-4-11)19(27)23-15-9-13(10-16(24)17(15)25)20(28)22-14(18(21)26)7-8-31(2,29)30/h3-6,9,14-17,24-25H,7-8,10H2,1-2H3,(H2,21,26)(H,22,28)(H,23,27)/t14-,15+,16+,17+/m0/s1
InChI Key JVDOANFLXPKBAZ-YLFCFFPRSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)NC2C=C(CC(C2O)O)C(=O)NC(CCS(=O)(=O)C)C(=O)N
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Other Names Benzamide, N-[(1R,5R,6R)-3-[[[(1S)-1-(aminocarbonyl)-3-(methylsulfonyl)propyl]amino]carbonyl]-5,6-dihydroxy-2-cyclohexen-1-yl]-4-methyl-;
NAT2-17081

In Other Databases

PubChem 11881998
ChemSpider 10056326