N-[(2S,4aR,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:102444)

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CHEBI:102444 - N-[(2S,4aR,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 ID	CHEBI:102444
ChEBI Name	N-[(2S,4aR,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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Formula	C28H33N3O6
Net Charge	0
Average Mass	507.587
Monoisotopic Mass	507.23694
SMILES	COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2
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-PWWKTKHKSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aR,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:102444) is a isoquinolines (CHEBI:24922)

Manual Xrefs	Databases
LSM-13795	LINCS