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CHEBI:29584 - GE2270A

ChEBI IDCHEBI:29584
ChEBI NameGE2270A
Stars
Secondary ChEBI IDCHEBI:42746
Last Modified22 March 2019
DownloadsMolfile
FormulaC56H55N15O10S6
Net Charge0
Average Mass1290.553
Monoisotopic Mass1289.25806
SMILESCNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(C4=NC(C(=O)N5CCCC5C(N)=O)CO4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)NC(=O)c2nc1sc2C
InChIInChI=1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)
InChIKeyJMDULECOHIXMNX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
GE2270A (CHEBI:29584) is a azamacrocycle (CHEBI:52898)
GE2270A (CHEBI:29584) is a lactam (CHEBI:24995)
Synonyms  Source
GE2270AKEGG COMPOUND
GE2270APDBeChem
(2S)-1-{[(4S)-2-{2-[(18S,25S,35S)-35-[(R)-hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-25-(1-methylethyl)-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1~2,5~.1~12,15~.1~19,22~.1~26,29~.0~6,11~]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}pyrrolidine-2-carboxamide (non-preferred name)PDBeChem
Manual XrefsDatabases
C12068KEGG COMPOUND
GEAPDBeChem