2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:98377)

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CHEBI:98377 - 2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

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ChEBI ID	CHEBI:98377
ChEBI Name	2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
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Downloads	Molfile

Formula	C29H32N4O5S
Net Charge	0
Average Mass	548.665
Monoisotopic Mass	548.20934
SMILES	CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@@H]21
InChI	InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24-,26+/m0/s1
InChIKey	OJLJDVMGKDSXAU-PMWMKWCKSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:98377) is a aromatic amide (CHEBI:62733)

Manual Xrefs	Databases
LSM-9756	LINCS