(1R,2S,3S,4R)-6-[1-(4-chloro-3-sulfamoylbenzamido)-5-hydroxy-2-methyl-2,3,4,5-tetrahydroindol-4-yl]-2,3,4-trihydroxycyclohexane-1-carboxylic acid (CHEBI:143390)

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CHEBI:143390 - (1R,2S,3S,4R)-6-[1-(4-chloro-3-sulfamoylbenzamido)-5-hydroxy-2-methyl-2,3,4,5-tetrahydroindol-4-yl]-2,3,4-trihydroxycyclohexane-1-carboxylic acid

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ChEBI ID	CHEBI:143390
ChEBI Name	(1R,2S,3S,4R)-6-[1-(4-chloro-3-sulfamoylbenzamido)-5-hydroxy-2-methyl-2,3,4,5-tetrahydroindol-4-yl]-2,3,4-trihydroxycyclohexane-1-carboxylic acid
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Submitter	mwilliams
Downloads	Molfile

Formula	C23H28ClN3O9S
Net Charge	0
Average Mass	558.009
Monoisotopic Mass	557.12348
SMILES	CC1CC2=C(C=CC(O)C2C2C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)O)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChI	InChI=1S/C23H28ClN3O9S/c1-9-6-11-14(27(9)26-22(32)10-2-3-13(24)17(7-10)37(25,35)36)4-5-15(28)18(11)12-8-16(29)20(30)21(31)19(12)23(33)34/h2-5,7,9,12,15-16,18-21,28-31H,6,8H2,1H3,(H,26,32)(H,33,34)(H2,25,35,36)/t9?,12?,15?,16-,18?,19-,20+,21+/m1/s1
InChIKey	IHUWTJKTPNYUNN-LUTLXCFKSA-N

ChEBI Ontology

Outgoing Relation(s)
	(1R,2S,3S,4R)-6-[1-(4-chloro-3-sulfamoylbenzamido)-5-hydroxy-2-methyl-2,3,4,5-tetrahydroindol-4-yl]-2,3,4-trihydroxycyclohexane-1-carboxylic acid (CHEBI:143390) is a sulfonamide (CHEBI:35358)