N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-cyanobenzamide (CHEBI:97603)

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CHEBI:97603 - N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-cyanobenzamide

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ChEBI ID	CHEBI:97603
ChEBI Name	N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-cyanobenzamide
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Formula	C30H35N5O5
Net Charge	0
Average Mass	545.640
Monoisotopic Mass	545.26382
SMILES	CN1C(=O)c2cc(NC(=O)c3cccc(C#N)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCCN3CCCC3)CC[C@@H]21
InChI	InChI=1S/C30H35N5O5/c1-34-25-9-8-23(17-28(36)32-11-14-35-12-2-3-13-35)40-27(25)19-39-26-10-7-22(16-24(26)30(34)38)33-29(37)21-6-4-5-20(15-21)18-31/h4-7,10,15-16,23,25,27H,2-3,8-9,11-14,17,19H2,1H3,(H,32,36)(H,33,37)/t23-,25+,27-/m1/s1
InChIKey	BJZSGQQIPOLCTA-NRRYGQPISA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-cyanobenzamide (CHEBI:97603) is a benzamides (CHEBI:22702)

Manual Xrefs	Databases
LSM-8982	LINCS