3066864-32-9

ETN029

Synonym(s): MC339

IUPAC Name: 2,2',2''-(10-(2-((4-((5R,8S,11S,14S,17S,20S,23R)-23-((S)-2-((2S,3R)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)-3-hydroxy-N-methylbutanamido)-4,4-dimethylpentanamido)-17-(2-amino-2-oxoethyl)-5-(((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-8-(carboxymethyl)-20-((1-(carboxymethyl)piperidin-4-yl)methyl)-14-(naphthalen-2-ylmethyl)-7,10,13,16,19,22-hexaoxo-1,3-dithia-6,9,12,15,18,21-hexaazacyclotetracosan-11-yl)butyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

InChIKey: YBIHAYCVELUNPG-IZEHOFEZSA-N

SMILES: CC(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@H](C(N([C@H](C(N[C@@H]3C(N[C@@H](CC4CCN(CC(O)=O)CC4)C(N[C@@H](CC(N)=O)C(N[C@@H](CC5=CC=C6C=CC=CC6=C5)C(N[C@@H](CCCCNC(CN7CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC7)=O)C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@H](C(N8CCC[C@H]8C(N)=O)=O)CC9=CNC%10=C9C=CC=C%10)=O)CSCSC3)=O)=O)=O)=O)=O)=O)=O)CC(C)(C)C)C)=O)[C@@H](C)O)=O)=O