221872-97-5

Phrixotoxin-1

IUPAC Name: 3-((1R,4S,7S,13S,16R,21R,24S,27S,30S,33S,36S,39S,42R,45S,48S,51S,54S,57S,60R,65R,68S,71S,74S)-30,36,68-tris((1H-indol-3-yl)methyl)-65-(((S)-6-amino-1-(((S)-6-amino-1-(((2S,3S)-1-(((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)-21-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-24-(3-amino-3-oxopropyl)-27,57-bis(4-aminobutyl)-45-(carboxymethyl)-54,74-bis(3-guanidinopropyl)-39-((R)-1-hydroxyethyl)-48-(hydroxymethyl)-7,71-diisobutyl-4-isopropyl-51-methyl-33-(2-(methylthio)ethyl)-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,67,70,73,76,81-tricosaoxo-18,19,62,63,78,79-hexathia-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,66,69,72,75,82-tricosaazatricyclo[40.34.4.216,60]dooctacontan-13-yl)propanoic acid

InChIKey: JCKLMZMKNMWSRS-JMCQEQFNSA-N

SMILES: OC1=CC=C(C[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC2=CNC3=CC=CC=C23)C(N[C@H]4[C@@H](C)O)=O)=O)CCSC)=O)CC5=CNC6=CC=CC=C56)=O)CCCCN)=O)CCC(N)=O)=O)CSSC[C@H](NC7=O)C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]8CC9=CNC%10=CC=CC=C9%10)=O)CC(C)C)=O)CCCNC(N)=N)=O)CSSC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]7CSSC[C@H](NC8=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]([C@H](CC)C)C(N)=O)=O)[C@H](CC)C)=O)CCCCN)=O)CCCCN)=O)=O)CCCCN)=O)CCCNC(N)=N)=O)C)=O)CO)=O)CC(O)=O)=O)NC4=O)=O)C(C)C)=O)CC(C)C)=O)=O)CCC(O)=O)=O)=O)N)C=C1