N-[(1R,5R,6R)-3-{[(2S)-1-Amino-1-oxo-3-(2-thienyl)-2-propanyl]carbamoyl}-5,6-dihydroxy-2-cyclohexen-1-yl]-N2-methyl-L-leucinamide

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Systematic / IUPAC Name: (3R,4R,5R)-N-[(2S)-1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-4,5-dihydroxy-3-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]cyclohexene-1-carboxamide

ID: Reference12694

Other Names: NAT2-252159

Formula: C21H32N4O5S

Spectral Data

N-[(1R,5R,6R)-3-{[(2S)-1-Amino-1-oxo-3-(2-thienyl)-2-propanyl]carbamoyl}-5,6-dihydroxy-2-cyclohexen-1-yl]-N2-methyl-L-leucinamide 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 2586
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/31/2023 1:33:59 PM
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Identificators

InChI InChI=1S/C21H32N4O5S/c1-11(2)7-16(23-3)21(30)24-14-8-12(9-17(26)18(14)27)20(29)25-15(19(22)28)10-13-5-4-6-31-13/h4-6,8,11,14-18,23,26-27H,7,9-10H2,1-3H3,(H2,22,28)(H,24,30)(H,25,29)/t14-,15+,16+,17-,18-/m1/s1
InChI Key YLWSQSPVBWFPJG-DISONHOPSA-N
Canonical SMILES CC(C)CC(C(=O)NC1C=C(CC(C1O)O)C(=O)NC(CC2=CC=CS2)C(=O)N)NC
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Other Names NAT2-252159

In Other Databases

PubChem 11866301
ChemSpider 10040634