(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE (CHEBI:47690)

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CHEBI:47690 - (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE

Default Structure

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ChEBI ID	CHEBI:47690
ChEBI Name	(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE
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Downloads	Molfile

Formula	C25H33ClN4O5
Net Charge	0
Average Mass	505.015
Monoisotopic Mass	504.21395
SMILES	[H]c1c([H])c2c(c([H])c1Cl)C([H])([H])N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])O2)C([H])([H])C([H])([H])C1([H])[H]
InChI	InChI=1S/C25H33ClN4O5/c26-18-8-9-20-17(13-18)14-28-24(33)19-7-4-12-30(19)25(34)23(16-5-2-1-3-6-16)29-21(31)10-11-27-22(32)15-35-20/h8-9,13,16,19,23H,1-7,10-12,14-15H2,(H,27,32)(H,28,33)(H,29,31)/t19-,23+/m0/s1
InChIKey	CNGULIMOMYJRBP-WMZHIEFXSA-N

ChEBI Ontology

Outgoing Relation(s)
	(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE (CHEBI:47690) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(6R,21aS)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1H,5H-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraazacycloheptadecine-5,8,12,21(9H,13H,21aH)-tetrone	PDBeChem
(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE	PDBeChem

Manual Xrefs	Databases
T76	PDBeChem