5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID (CHEBI:47090)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47090 - 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:47090
ChEBI Name	5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID
Stars
Last Modified	17 October 2009
Downloads	Molfile

Formula	C26H20Cl2N4O4S
Net Charge	0
Average Mass	555.443
Monoisotopic Mass	554.05823
SMILES	[H]OC(=O)c1c([H])sc(C([H])([H])N2C([H])([H])[C@@]([H])(c3c([H])c([H])c(C#N)c([H])c3[H])[C@@]3(C(=O)N(c4c([H])c(Cl)c([H])c(Cl)c4[H])C(=O)N3C([H])([H])[H])C2([H])[H])c1[H]
InChI	InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1
InChIKey	NXNKJLOEGWSJGI-BKMJKUGQSA-N

ChEBI Ontology

Outgoing Relation(s)
	5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID (CHEBI:47090) is a unclassifieds (CHEBI:27189)

Synonyms	Source
5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID	PDBeChem
5-{[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]methyl}thiophene-3-carboxylic acid	PDBeChem

Manual Xrefs	Databases
2IC	PDBeChem