CHEBI:100819 - N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide

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ChEBI Name N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide
ChEBI ID CHEBI:100819
Stars This entity has been manually annotated by a third party.
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Formula C20H30N2O5S
Net Charge 0
Average Mass 410.529
Monoisotopic Mass 410.18754
InChI InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18-,19+/m0/s1
InChIKey FGKXCNJDDMNFOM-GBESFXJTSA-N
SMILES C1CC(C1)C(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3
ChEBI Ontology
Outgoing N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide (CHEBI:100819) is a C-glycosyl compound (CHEBI:20857)
N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide (CHEBI:100819) is a cyclobutanes (CHEBI:156473)
Manual Xref Database
LSM-12193 LINCS
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Last Modified
07 September 2020