CHEBI:98149 - 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-chlorophenyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-chlorophenyl)acetamide
ChEBI ID CHEBI:98149
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H31ClN4O5
Net Charge 0
Average Mass 515.002
Monoisotopic Mass 514.19830
InChI InChI=1S/C26H31ClN4O5/c1-15(2)28-26(34)29-16-8-11-22-18(12-16)25(33)31(3)21-10-9-17(36-23(21)14-35-22)13-24(32)30-20-7-5-4-6-19(20)27/h4-8,11-12,15,17,21,23H,9-10,13-14H2,1-3H3,(H,30,32)(H2,28,29,34)/t17-,21+,23-/m1/s1
InChIKey FZGMKYAFXDIPHD-FRGLQRNOSA-N
SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NC4=CC=CC=C4Cl)N(C2=O)C
ChEBI Ontology
Outgoing 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-chlorophenyl)acetamide (CHEBI:98149) is a anilide (CHEBI:13248)
Manual Xref Database
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