CHEBI:101403 - N-[(2R,4aR,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,4aR,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide
ChEBI ID CHEBI:101403
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H35N3O6
Net Charge 0
Average Mass 509.595
Monoisotopic Mass 509.25259
InChI InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23-,25-/m1/s1
InChIKey WOMWNJCZYVCUPK-GZGNHOFSSA-N
SMILES CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C
ChEBI Ontology
Outgoing N-[(2R,4aR,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide (CHEBI:101403) is a methoxybenzenes (CHEBI:51683)
Manual Xref Database
LSM-12766 LINCS
View more database links