CHEBI:101343 - N-[(2R,4aR,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide

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ChEBI Name N-[(2R,4aR,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide
ChEBI ID CHEBI:101343
Stars This entity has been manually annotated by a third party.
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Formula C28H30FN5O5
Net Charge 0
Average Mass 535.568
Monoisotopic Mass 535.22310
InChI InChI=1S/C28H30FN5O5/c1-16-22(14-33(2)32-16)31-26(35)13-20-8-9-23-25(39-20)15-38-24-10-7-19(12-21(24)28(37)34(23)3)30-27(36)17-5-4-6-18(29)11-17/h4-7,10-12,14,20,23,25H,8-9,13,15H2,1-3H3,(H,30,36)(H,31,35)/t20-,23-,25-/m1/s1
InChIKey LLFGMIFPADLUOD-QFZRFWILSA-N
SMILES CC1=NN(C=C1NC(=O)C[C@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CC(=CC=C5)F)C(=O)N3C)C
ChEBI Ontology
Outgoing N-[(2R,4aR,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide (CHEBI:101343) is a carbonyl compound (CHEBI:36586)
N-[(2R,4aR,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide (CHEBI:101343) is a organohalogen compound (CHEBI:17792)
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