CHEBI:101591 - N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
ChEBI ID CHEBI:101591
Stars This entity has been manually annotated by a third party.
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Formula C20H38N4O4
Net Charge 0
Average Mass 398.541
Monoisotopic Mass 398.28931
InChI InChI=1S/C20H38N4O4/c1-15(2)22-20(27)21-10-8-16-6-7-17(18(14-25)28-16)23-19(26)9-13-24-11-4-3-5-12-24/h15-18,25H,3-14H2,1-2H3,(H,23,26)(H2,21,22,27)/t16-,17+,18+/m1/s1
InChIKey JVYCUASVIANWPE-SQNIBIBYSA-N
SMILES CC(C)NC(=O)NCC[C@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)CCN2CCCCC2
ChEBI Ontology
Outgoing N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide (CHEBI:101591) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
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