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 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
ChEBI ID CHEBI:143390
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C23H28ClN3O9S
Net Charge 0
Average Mass 558.003
Monoisotopic Mass 557.123
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
SMILES ClC1=C(S(=O)(=O)N)C=C(C(=O)NN2C3=C(C(C(O)C=C3)C4[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H](C4)O)CC2C)C=C1
ChEBI Ontology
Outgoing (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)