N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide (CHEBI:97917)

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CHEBI:97917 - N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

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ChEBI ID	CHEBI:97917
ChEBI Name	N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
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Formula	C34H36F2N4O5
Net Charge	0
Average Mass	618.681
Monoisotopic Mass	618.26538
SMILES	CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21
InChI	InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25+,29-,31-/m1/s1
InChIKey	UWMJOJNRDSZDAZ-ZJSFRRNISA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide (CHEBI:97917) is a carbonyl compound (CHEBI:36586)
	N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide (CHEBI:97917) is a organohalogen compound (CHEBI:17792)

Manual Xrefs	Databases
LSM-9296	LINCS