CHEBI:118518 - N-[2-[(2R,5R,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide

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ChEBI Name N-[2-[(2R,5R,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
ChEBI ID CHEBI:118518
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H30ClN3O5
Net Charge 0
Average Mass 439.934
Monoisotopic Mass 439.18740
InChI InChI=1S/C21H30ClN3O5/c22-15-2-1-3-16(12-15)24-21(28)25-18-5-4-17(30-19(18)13-26)6-9-23-20(27)14-7-10-29-11-8-14/h1-3,12,14,17-19,26H,4-11,13H2,(H,23,27)(H2,24,25,28)/t17-,18-,19+/m1/s1
InChIKey PBAPATWUXUNVNP-QRVBRYPASA-N
SMILES C1C[C@H]([C@@H](O[C@H]1CCNC(=O)C2CCOCC2)CO)NC(=O)NC3=CC(=CC=C3)Cl
ChEBI Ontology
Outgoing N-[2-[(2R,5R,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide (CHEBI:118518) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-29967 LINCS
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