CHEBI:118372 - 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]urea

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ChEBI Name 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]urea
ChEBI ID CHEBI:118372
Stars This entity has been manually annotated by a third party.
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Formula C26H32N4O6
Net Charge 0
Average Mass 496.556
Monoisotopic Mass 496.23218
InChI InChI=1S/C26H32N4O6/c31-16-24-21(28-26(33)27-18-6-9-22-23(14-18)35-17-34-22)8-7-20(36-24)15-25(32)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-6,9,14,20-21,24,31H,7-8,10-13,15-17H2,(H2,27,28,33)/t20-,21+,24+/m0/s1
InChIKey GZDPKZCGLLNMKC-YZUZCNPQSA-N
SMILES C1C[C@H]([C@H](O[C@@H]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)CO)NC(=O)NC4=CC5=C(C=C4)OCO5
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]urea (CHEBI:118372) is a piperazines (CHEBI:26144)
Manual Xref Database
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