(2S)-N-[(2S,3R)-2-amino-3-methylpentanoyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-cyclohexyl-3-oxopropan-2-yl]-2,3-dihydropyrrole-2-carboxamide
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![(2S)-N-[(2S,3R)-2-amino-3-methylpentanoyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-cyclohexyl-3-oxopropan-2-yl]-2,3-dihydropyrrole-2-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/54f7d18870494a24a6a94aa26268cdfa.png "(2S)-N-[(2S,3R)-2-amino-3-methylpentanoyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-cyclohexyl-3-oxopropan-2-yl]-2,3-dihydropyrrole-2-carboxamide")
(2S)-N-[(2S,3R)-2-amino-3-methylpentanoyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-cyclohexyl-3-oxopropan-2-yl]-2,3-dihydropyrrole-2-carboxamide
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CAS No:
122211-31-8
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Formula:
C40H54N8O6
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Chemical Name:
(2S)-N-[(2S,3R)-2-amino-3-methylpentanoyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-cyclohexyl-3-oxopropan-2-yl]-2,3-dihydropyrrole-2-carboxamide
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Synonyms:
cyclo(Ile-hexahydro-3-pyridazinecarbonyl-hexahydro-3-pyridazinecarbonyl-N-Me-Phe-Pro-Phe);L 364,918;L 364918;L-364918;L 364918;122211-31-8;(2S)-N-(L-alloisoleucyl)-N-((R)-1-cyclohexyl-3-oxopropan-2-yl)-1-((2R)-3-(3,3-di(pyridazine-3-carbonyl)cyclohexyl)-2-(methylamino)propanoyl)-2,3-dihydro-1H-pyrrole-2-carboxamide;L-364918;L 364,918;DTXSID20924118;Cyclo(ile-hexahydro-3-pyridazinecarbonyl-hexahydro-3-pyridazinecarbonyl-N-Me-phe-pro-phe);Cyclo(L-isoleucyl-D-hexahydro-3-pyridazinecarbonyl-L-hexahydro-3-pyridazinecarbonyl-N-methyl-D-phenylalanyl-L-prolyl-D-phenylalanyl);N-(1-Cyclohexyl-3-oxopropan-2-yl)-N-(1-{3-[3,3-di(pyridazine-3-carbonyl)cyclohexyl]-N-methylalanyl}-2,3-dihydro-1H-pyrrole-2-carbonyl)isoleucinamide
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CAS No:
(2S)-N-[(2S,3R)-2-amino-3-methylpentanoyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-cyclohexyl-3-oxopropan-2-yl]-2,3-dihydropyrrole-2-carboxamide Basic Attributes
742.9 g/mol
742.41663147 g/mol
Drug Information
cyclo(Ile-hexahydro-3-pyridazinecarbonyl-hexahydro-3-pyridazinecarbonyl-N-Me-Phe-Pro-Phe)
Computed Properties
Molecular Weight:742.9
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:16
Exact Mass:742.41663147
Monoisotopic Mass:742.41663147
Topological Polar Surface Area:199
Heavy Atom Count:54
Complexity:1340
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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