Nα-({4,5-dihydroxy-3-[(2-thienylsulfonyl)amino]-1-cyclohexen-1-yl}carbonyl)tyrosinamide

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Systematic / IUPAC Name: N-[1-Amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4,5-dihydroxy-3-(thiophen-2-ylsulfonylamino)cyclohexene-1-carboxamide

ID: Reference9579

Other Names: Benzenepropanamide, α-[[[4,5-dihydroxy-3-[(2-thienylsulfonyl)amino]-1-cyclohexen-1-yl]carbonyl]amino]-4-hydroxy-;
NAT2-252275

Formula: C20H23N3O7S2

Spectral Data

Nα-({4,5-dihydroxy-3-[(2-thienylsulfonyl)amino]-1-cyclohexen-1-yl}carbonyl)tyrosinamide 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 3153
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 7:16:00 AM
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Identificators

InChI InChI=1S/C20H23N3O7S2/c21-19(27)15(8-11-3-5-13(24)6-4-11)22-20(28)12-9-14(18(26)16(25)10-12)23-32(29,30)17-2-1-7-31-17/h1-7,9,14-16,18,23-26H,8,10H2,(H2,21,27)(H,22,28)
InChI Key GTDLAZLGAWBYHT-UHFFFAOYSA-N
Canonical SMILES C1C(C(C(C=C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NS(=O)(=O)C3=CC=CS3)O)O
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Other Names Benzenepropanamide, α-[[[4,5-dihydroxy-3-[(2-thienylsulfonyl)amino]-1-cyclohexen-1-yl]carbonyl]amino]-4-hydroxy-;
NAT2-252275

In Other Databases

PubChem 3333292
ChemSpider 2580301