Name: Aeruginopeptin 95A
Class: Cyanopeptolin
Alternative Name: Aeruginopeptin
Formula: C56H75N9O17
Molecular Weight: 1146.262
Monoisotopic Mass (Neutral): 1145.528092
Monoisotopic Mass ([M+H]+): 1146.535368
International Chemical ID: BIEZHRIRLVWXFT-FGEPEWBASA-N
IUPAC name: N1-((2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-((S)-sec-butyl)-21-hydroxy-15-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(3-hydroxy-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)butanamido)pentanediamide
BuildBlock: [(Tyr)--(Ahp)--(Thr)--(N-Me-Phe)--(Ile)--(O-Thr)] --Gln-Thr-Hpla
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Chemical Structure (SMILES 1)Genus: Microcystis
Species: aeruginosa