CHEBI:128890 - N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide

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ChEBI Name N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
ChEBI ID CHEBI:128890
Stars This entity has been manually annotated by a third party.
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Formula C29H32N4O6
Net Charge 0
Average Mass 532.589
Monoisotopic Mass 532.23218
InChI InChI=1S/C29H32N4O6/c1-17-13-23(32-39-17)28(35)31-20-9-12-25-22(14-20)29(36)33(3)24-11-10-21(38-26(24)16-37-25)15-27(34)30-18(2)19-7-5-4-6-8-19/h4-9,12-14,18,21,24,26H,10-11,15-16H2,1-3H3,(H,30,34)(H,31,35)/t18-,21-,24-,26+/m1/s1
InChIKey QPXCRYPJEFDDNY-LBEYQYMASA-N
SMILES CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)N[C@H](C)C5=CC=CC=C5)N(C3=O)C
ChEBI Ontology
Outgoing N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide (CHEBI:128890) is a aromatic amide (CHEBI:62733)
N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide (CHEBI:128890) is a heteroarene (CHEBI:33833)
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