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CHEBI:120323 - 1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea

ChEBI IDCHEBI:120323
ChEBI Name1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
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FormulaC19H31N3O5S
Net Charge0
Average Mass413.540
Monoisotopic Mass413.19844
SMILESCC(C)NC(=O)N[C@@H]1CC[C@H](CCNS(=O)(=O)Cc2ccccc2)O[C@@H]1CO
InChIInChI=1S/C19H31N3O5S/c1-14(2)21-19(24)22-17-9-8-16(27-18(17)12-23)10-11-20-28(25,26)13-15-6-4-3-5-7-15/h3-7,14,16-18,20,23H,8-13H2,1-2H3,(H2,21,22,24)/t16-,17-,18-/m1/s1
InChIKeyWDDVSYGCEMHEAU-KZNAEPCWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea (CHEBI:120323) is a C-glycosyl compound (CHEBI:20857)
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