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CHEBI:222460 - Aeruginosin 736

ChEBI IDCHEBI:222460
ChEBI NameAeruginosin 736
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FormulaC35H56N6O11
Net Charge0
Average Mass736.864
Monoisotopic Mass736.40071
SMILESCC(C)CC(NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(=O)NCCCCN=C(N)N)CC2CCC(OC3OC(CO)C(O)C(O)C3O)CC21
InChIInChI=1S/C35H56N6O11/c1-18(2)13-23(40-32(49)26(44)14-19-5-8-21(43)9-6-19)33(50)41-24-16-22(51-34-30(47)29(46)28(45)27(17-42)52-34)10-7-20(24)15-25(41)31(48)38-11-3-4-12-39-35(36)37/h5-6,8-9,18,20,22-30,34,42-47H,3-4,7,10-17H2,1-2H3,(H,38,48)(H,40,49)(H4,36,37,39)
InChIKeyTXGSALMCYNQFOW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin 736 (CHEBI:222460) is a leucine derivative (CHEBI:47003)
IUPAC Name 
N-[4-(diaminomethylideneamino)butyl]-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