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IUPAC Name: disodium 2-[(2R,5S,8S,11S,14S,17R)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-8-(2-oxido-2-oxoethyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetate | CAS Registry Number: 157380-72-8
Synonyms: Tak-044, CHEBI:193908, CID123882, {(2S,5S,8S,11R,14R,17S)-14-Carboxymethyl-11-(1H-indol-3-ylmethyl)-8-isobutyl-3,6,9,12,15,18-hexaoxo-17-[2-oxo-2-(4-phenyl-piperazin-1-yl)-ethyl]-5-thiophen-2-yl-1,4,7,10,13,16hexaaza-cyclooctadec-2-yl}-acetic acid, Cyclo(4-oxo-4-(4-phenyl-1-piperazinyl)-L-2-aminobutanoyl-L-alpha-aspartyl-D-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-alpha-aspartyl), disodium salt, Cyclo(D-alpha-aspartyl-3-((4-phenylpiperazin-1-yl)carbonyl)-L-alanyl-L-alpha-aspartyl-D-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl) disodium salt, Cyclo(L-alpha-aspartyl-(2R)-2-(2-thienyl)glycyl-L-leucyl-D tryptophyl-D-alpha-aspartyl-(alpha-S)-alpha-amino-gamma-oxo-4-phenyl-1-piperazinebutanoyl), disodium salt

Molecular Formula:	C₄₅H₅₁N₉Na₂O₁₁S	Molecular Weight:	971.984680 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	12

InChIKey: UWHBIISPHYTOGL-PFSAEEMXSA-L