(3R)-3-amino-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methylbutanoyl]-[(2S,3R)-3-hydroxy-2-(propylamino)butanoyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-4-piperidin-1-ylbutanoic acid
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![(3R)-3-amino-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methylbutanoyl]-[(2S,3R)-3-hydroxy-2-(propylamino)butanoyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-4-piperidin-1-ylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d58d4022118d4d3882226da53bc65495.png "(3R)-3-amino-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methylbutanoyl]-[(2S,3R)-3-hydroxy-2-(propylamino)butanoyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-4-piperidin-1-ylbutanoic acid")
(3R)-3-amino-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methylbutanoyl]-[(2S,3R)-3-hydroxy-2-(propylamino)butanoyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-4-piperidin-1-ylbutanoic acid
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CAS No:
182134-00-5
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Formula:
C37H62N6O9
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Chemical Name:
(3R)-3-amino-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methylbutanoyl]-[(2S,3R)-3-hydroxy-2-(propylamino)butanoyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-4-piperidin-1-ylbutanoic acid
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Synonyms:
SC 67655;SC-67655;182134-00-5;DTXSID00939528;3-Amino-3-[2-({2-[(3-cyclohexyl-1-hydroxybutylidene)amino]-3-methylbutanoyl}[3-hydroxy-2-(propylamino)butanoyl]carbamoyl)pyrrolidine-1-carbonyl]-4-oxo-4-(piperidin-1-yl)butanoic acid;L-Threoninamide, N-((3S)-3-cyclohexyl-1-oxobutyl)-L-valyl-(2S)-2-piperidinecarbonyl-L-alpha-aspartyl-L-prolyl-N-propyl-;L-Threoninamide, N-(3-cyclohexyl-1-oxobutyl)-L-valyl-L-2-piperidinecarbonyl-L-alpha-aspartyl-L-prolyl-N-propyl-, (S)-
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CAS No:
(3R)-3-amino-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methylbutanoyl]-[(2S,3R)-3-hydroxy-2-(propylamino)butanoyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-4-piperidin-1-ylbutanoic acid Basic Attributes
734.9 g/mol
734.45782758 g/mol
Computed Properties
Molecular Weight:734.9
XLogP3:0.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:16
Exact Mass:734.45782758
Monoisotopic Mass:734.45782758
Topological Polar Surface Area:220
Heavy Atom Count:52
Complexity:1300
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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