CHEBI:100315 - 1-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea
ChEBI ID CHEBI:100315
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H33N3O6S
Net Charge 0
Average Mass 491.602
Monoisotopic Mass 491.20901
InChI InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23+/m0/s1
InChIKey URVFCIGKBRHLNA-MDNUFGMLSA-N
SMILES CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
ChEBI Ontology
Outgoing 1-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea (CHEBI:100315) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-11690 LINCS
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