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CHEBI:101765 - LSM-13127

ChEBI IDCHEBI:101765
ChEBI NameLSM-13127
Stars
DownloadsMolfile
FormulaC33H39N3O6S
Net Charge0
Average Mass605.757
Monoisotopic Mass605.25596
SMILESCOc1cccc(S(=O)(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@H]2C)c1
InChIInChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30-/m1/s1
InChIKeyZFRPCBGONKGXGW-DUELTEGESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-13127 (CHEBI:101765) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-13127LINCS