N2-{[(3R,4R,5R)-4,5-dihydroxy-3-(D-valylamino)-1-cyclohexen-1-yl]carbonyl}-D-leucinamide

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Systematic / IUPAC Name: (3R,4R,5R)-3-[[(2R)-2-Amino-3-methylbutanoyl]amino]-N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4,5-dihydroxycyclohexene-1-carboxamide

ID: Reference12375

Other Names: NAT2-17531

Formula: C18H32N4O5

Spectral Data

N2-{[(3R,4R,5R)-4,5-dihydroxy-3-(D-valylamino)-1-cyclohexen-1-yl]carbonyl}-D-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 3060
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 1:48:21 PM
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Identificators

InChI InChI=1S/C18H32N4O5/c1-8(2)5-12(16(20)25)22-17(26)10-6-11(15(24)13(23)7-10)21-18(27)14(19)9(3)4/h6,8-9,11-15,23-24H,5,7,19H2,1-4H3,(H2,20,25)(H,21,27)(H,22,26)/t11-,12-,13-,14-,15-/m1/s1
InChI Key JCOIECPDIUOPGC-KJWHEZOQSA-N
Canonical SMILES CC(C)CC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)NC(=O)C(C(C)C)N
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Other Names NAT2-17531

In Other Databases

ChemSpider 5409268
PubChem 7049358