2-[(2S,4aR,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-[3-(4-morpholinyl)propyl]acetamide (CHEBI:99703)

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CHEBI:99703 - 2-[(2S,4aR,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-[3-(4-morpholinyl)propyl]acetamide

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ChEBI ID	CHEBI:99703
ChEBI Name	2-[(2S,4aR,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-[3-(4-morpholinyl)propyl]acetamide
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Downloads	Molfile

Formula	C29H38N4O6S
Net Charge	0
Average Mass	570.712
Monoisotopic Mass	570.25121
SMILES	CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCCN3CCOCC3)CC[C@H]21
InChI	InChI=1S/C29H38N4O6S/c1-32-24-7-6-21(17-27(34)30-9-3-10-33-11-13-37-14-12-33)39-26(24)19-38-25-8-5-20(16-23(25)29(32)36)31-28(35)18-22-4-2-15-40-22/h2,4-5,8,15-16,21,24,26H,3,6-7,9-14,17-19H2,1H3,(H,30,34)(H,31,35)/t21-,24+,26-/m0/s1
InChIKey	CJRLOTNMWBMMLN-NZJKTDFXSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,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-[3-(4-morpholinyl)propyl]acetamide (CHEBI:99703) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-11082	LINCS