CHEBI:100860 - N-[(2R,4aS,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-thiazolecarboxamide

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ChEBI Name N-[(2R,4aS,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-thiazolecarboxamide
ChEBI ID CHEBI:100860
Stars This entity has been manually annotated by a third party.
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Formula C25H31N5O5S
Net Charge 0
Average Mass 513.611
Monoisotopic Mass 513.20459
InChI InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20+,22+/m1/s1
InChIKey MBWHXZFHLNKYMT-AGHHOFFYSA-N
SMILES CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C
ChEBI Ontology
Outgoing N-[(2R,4aS,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-thiazolecarboxamide (CHEBI:100860) is a aromatic amide (CHEBI:62733)
N-[(2R,4aS,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-thiazolecarboxamide (CHEBI:100860) is a thiazoles (CHEBI:48901)
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