N-[(2S,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide (CHEBI:102863)

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CHEBI:102863 - N-[(2S,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

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ChEBI ID	CHEBI:102863
ChEBI Name	N-[(2S,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
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Formula	C27H35N5O6
Net Charge	0
Average Mass	525.606
Monoisotopic Mass	525.25873
SMILES	Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1
InChI	InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24+/m0/s1
InChIKey	KFDLRFOLOVMTJG-NGYIFUPDSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide (CHEBI:102863) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-14209	LINCS