N-(3-Amino-3-oxopropyl)-4,5-dihydroxy-3-[(2-thienylsulfonyl)amino]-1-cyclohexene-1-carboxamide

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Systematic / IUPAC Name: N-(3-Amino-3-oxopropyl)-4,5-dihydroxy-3-(thiophen-2-ylsulfonylamino)cyclohexene-1-carboxamide

ID: Reference9969

Other Names: 1-Cyclohexene-1-carboxamide, N-(3-amino-3-oxopropyl)-4,5-dihydroxy-3-[(2-thienylsulfonyl)amino]-;
NAT2-252325

Formula: C14H19N3O6S2

Spectral Data

N-(3-Amino-3-oxopropyl)-4,5-dihydroxy-3-[(2-thienylsulfonyl)amino]-1-cyclohexene-1-carboxamide 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 1434
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/1/2020 11:21:20 AM
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Identificators

InChI InChI=1S/C14H19N3O6S2/c15-11(19)3-4-16-14(21)8-6-9(13(20)10(18)7-8)17-25(22,23)12-2-1-5-24-12/h1-2,5-6,9-10,13,17-18,20H,3-4,7H2,(H2,15,19)(H,16,21)
InChI Key YOEXNBZIKHLVCN-UHFFFAOYSA-N
Canonical SMILES C1C(C(C(C=C1C(=O)NCCC(=O)N)NS(=O)(=O)C2=CC=CS2)O)O
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Other Names 1-Cyclohexene-1-carboxamide, N-(3-amino-3-oxopropyl)-4,5-dihydroxy-3-[(2-thienylsulfonyl)amino]-;
NAT2-252325

In Other Databases

ChemSpider 3096327
PubChem 3871552