926277-68-1

Modimelanotide

Synonym(s): ABT-719; AP-214

IUPAC Name: (4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S)-34-(((2S,5S,8S,11S,17S)-11-((1H-indol-3-yl)methyl)-21-amino-17-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-5-benzyl-8-(3-guanidinopropyl)-1-(1H-imidazol-5-yl)-3,6,9,12,15-pentaoxo-4,7,10,13,16-pentaazahenicosan-2-yl)carbamoyl)-4,7,10,13,16,19-hexakis(4-aminobutyl)-25-(4-hydroxybenzyl)-22,28-bis(hydroxymethyl)-31-(2-(methylthio)ethyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-3,6,9,12,15,18,21,24,27,30,33-undecaazaheptatriacontan-37-oic acid

InChIKey: WHRVKPBBRZHWTN-MZJBPVDRSA-N

SMILES: O=C(C)N[C@@H](CCCCN)C(N[C@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@H](CCCCN)C(N[C@@H](CO)C(N[C@H](CC1=CC=C(O)C=C1)C(N[C@@H](CO)C(N[C@H](CCSC)C(N[C@@H](CCC(O)=O)C(N[C@H](CC2=CN=CN2)C(N[C@H](C(N[C@H](CCCNC(N)=N)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(NCC(N[C@@H](CCCCN)C(N5[C@H](C(N[C@@H](C(C)C)C(N)=O)=O)CCC5)=O)=O)=O)=O)=O)CC6=CC=CC=C6)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O