CHEBI:102672 - N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide

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ChEBI Name N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide ChEBI ID CHEBI:102672 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H33N3O6 Net Charge 0 Average Mass 507.579 Monoisotopic Mass 507.23694 InChI InChI=1S/C28H33N3O6/c1-30-23-9-8-21(14-27(33)31-12-11-18-5-3-4-6-19(18)15-31)37-25(23)16-36-24-10-7-20(13-22(24)28(30)34)29-26(32)17-35-2/h3-7,10,13,21,23,25H,8-9,11-12,14-17H2,1-2H3,(H,29,32)/t21-,23-,25-/m0/s1 InChIKey HUCZTLCWVGQLCW-RSEQLOHWSA-N SMILES CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4 ChEBI Ontology Outgoing N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide (CHEBI:102672) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-14019 LINCS View more database links