(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE (CHEBI:47530)

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CHEBI:47530 - (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE

Default Structure

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ChEBI ID	CHEBI:47530
ChEBI Name	(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE
Stars
Last Modified	17 October 2009
Downloads	Molfile

Formula	C27H33ClN6O2
Net Charge	0
Average Mass	509.054
Monoisotopic Mass	508.23535
SMILES	[H]c1nc2c(=O)n(c1Cl)C([H])([H])C(=O)N([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[C@]([H])(C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])N2[H]
InChI	InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-10-5-4-9-21(22)11-14-29-12-6-13-30-17-23(33-26)15-20-7-2-1-3-8-20/h1-5,7-10,18,23,29-30H,6,11-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1
InChIKey	LYVSCNRRXJZCRV-QHCPKHFHSA-N

ChEBI Ontology

Outgoing Relation(s)
	(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE (CHEBI:47530) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(11S)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacyclohenicosine-3,24(4H)-dione	PDBeChem
(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE	PDBeChem

Manual Xrefs	Databases
L86	PDBeChem