CHEBI:223015 - SCH-64874

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name SCH-64874
ChEBI ID CHEBI:223015
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H44N2O10S2
Net Charge 0
Average Mass 704.850
Monoisotopic Mass 704.24374
InChI InChI=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
InChIKey AHBMXBRWMGAQMZ-WDAIGYCPSA-N
SMILES S1S[C@]23N([C@@H]4[C@@H](OC(=O)C(C(O)C(CC)C)C)C=COC=C4C2)C([C@]15N([C@@H]6C(OC(=O)C(C(O)C(CC)C)C)C=COC=C6C5)C3=O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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