4-Amino-2-hydroxy-5-{[1-hydroxy-1-(2-oxobicyclo[4.1.0]hept-3-en-1-yl)-2-propanyl]amino}-5-oxopentanoic acid

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Systematic / IUPAC Name: 4-Amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid

ID: Reference7600

Other Names: 4-Amino-2-hydroxy-4-[(1-hydroxy-1-{2-oxobicyclo[4.1.0]hept-3-en-1-yl}propan-2-yl)carbamoyl]butanoic acid

Formula: C15H22N2O6

Spectral Data

4-Amino-2-hydroxy-5-{[1-hydroxy-1-(2-oxobicyclo[4.1.0]hept-3-en-1-yl)-2-propanyl]amino}-5-oxopentanoic acid 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2018 9:10:38 AM
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Identificators

InChI InChI=1S/C15H22N2O6/c1-7(17-13(21)9(16)5-10(18)14(22)23)12(20)15-6-8(15)3-2-4-11(15)19/h2,4,7-10,12,18,20H,3,5-6,16H2,1H3,(H,17,21)(H,22,23)
InChI Key SYGQXRLXOOXDRP-UHFFFAOYSA-N
Canonical SMILES CC(C(C12CC1CC=CC2=O)O)NC(=O)C(CC(C(=O)O)O)N
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Other Names 4-Amino-2-hydroxy-4-[(1-hydroxy-1-{2-oxobicyclo[4.1.0]hept-3-en-1-yl}propan-2-yl)carbamoyl]butanoic acid

In Other Databases

PubChem 56773919
ChemSpider 29814181