CHEBI:102764 - N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

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ChEBI Name N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
ChEBI ID CHEBI:102764
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H38N4O6
Net Charge 0
Average Mass 514.615
Monoisotopic Mass 514.27913
InChI InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22+,24-/m0/s1
InChIKey HKYXYLDUIXPRSO-FJIJXJHWSA-N
SMILES CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C
ChEBI Ontology
Outgoing N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide (CHEBI:102764) is a aromatic amide (CHEBI:62733)
Manual Xref Database
LSM-14110 LINCS
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