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CHEBI:222455 - Aeruginosin 752

ChEBI IDCHEBI:222455
ChEBI NameAeruginosin 752
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FormulaC35H56N6O12
Net Charge0
Average Mass752.863
Monoisotopic Mass752.39562
SMILESCC(C)CC(NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(=O)NCCCCN=C(N)N)CC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)CC21
InChIInChI=1S/C35H56N6O12/c1-17(2)11-21(40-32(50)25(45)12-18-5-7-20(43)8-6-18)33(51)41-22-15-26(52-34-30(48)29(47)28(46)27(16-42)53-34)24(44)14-19(22)13-23(41)31(49)38-9-3-4-10-39-35(36)37/h5-8,17,19,21-30,34,42-48H,3-4,9-16H2,1-2H3,(H,38,49)(H,40,50)(H4,36,37,39)
InChIKeyFJTRLBMZPVQPHE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin 752 (CHEBI:222455) is a leucine derivative (CHEBI:47003)
IUPAC Name 
N-[4-(diaminomethylideneamino)butyl]-5-hydroxy-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide