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CHEBI:223015 - SCH-64874

ChEBI IDCHEBI:223015
ChEBI NameSCH-64874
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FormulaC34H44N2O10S2
Net Charge0
Average Mass704.864
Monoisotopic Mass704.24374
SMILESCCC(C)C(O)C(C)C(=O)OC1C=COC=C2C[C@@]34SS[C@]5(CC6=COC=C[C@H](OC(=O)C(C)C(O)C(C)CC)[C@H]6N5C3=O)C(=O)N4[C@@H]21
InChIInChI=1S/C34H44N2O10S2/c1-7-17(3)27(37)19(5)29(39)45-23-9-11-43-15-21-13-33-32(42)36-26-22(14-34(36,48-47-33)31(41)35(33)25(21)23)16-44-12-10-24(26)46-30(40)20(6)28(38)18(4)8-2/h9-12,15-20,23-28,37-38H,7-8,13-14H2,1-6H3/t17?,18?,19?,20?,23-,24?,25-,26-,27?,28?,33+,34+/m0/s1
InChIKeyAHBMXBRWMGAQMZ-WDAIGYCPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
SCH-64874 (CHEBI:223015) is a 2,5-diketopiperazines (CHEBI:65061)
SCH-64874 (CHEBI:223015) is a indoles (CHEBI:24828)
SCH-64874 (CHEBI:223015) is a organic disulfide (CHEBI:35489)
SCH-64874 (CHEBI:223015) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
[(1R,4S,12R,15S,16S)-16-(3-hydroxy-2,4-dimethylhexanoyl)oxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl] 3-hydroxy-2,4-dimethylhexanoate