2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-propylacetamide (CHEBI:127989)

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CHEBI:127989 - 2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-propylacetamide

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ChEBI ID	CHEBI:127989
ChEBI Name	2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-propylacetamide
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Downloads	Molfile

Formula	C25H31N3O5S
Net Charge	0
Average Mass	485.606
Monoisotopic Mass	485.19844
SMILES	CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1
InChI	InChI=1S/C25H31N3O5S/c1-3-10-26-23(29)13-17-7-8-20-22(33-17)15-32-21-9-6-16(12-19(21)25(31)28(20)2)27-24(30)14-18-5-4-11-34-18/h4-6,9,11-12,17,20,22H,3,7-8,10,13-15H2,1-2H3,(H,26,29)(H,27,30)/t17-,20-,22-/m0/s1
InChIKey	OTQDEBLEGXOUAD-XJABCFGWSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-propylacetamide (CHEBI:127989) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-39545	LINCS