6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
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![6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/85f133c8627747c79ba19c72fb069c45.png "6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid")
6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
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CAS No:
757246-85-8
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Formula:
C36H48N4O9
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Chemical Name:
6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
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Synonyms:
757246-85-8;DTXSID50349279;6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;L-prolinamide, N-(5-carboxy-1-oxopentyl)-L-valyl-L-valyl-N-(1-formylpropyl)-4-[(2-naphthalenylcarbonyl)oxy]-, (4R)-;L-Prolinamide, N-(5-carboxy-1-oxopentyl)-L-valyl-L-valyl-N-(1-formylpropyl)-4-[(2-naphthalenylcarbonyl)oxy]-, (4R)- (9CI)
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CAS No:
6-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid Basic Attributes
680.8 g/mol
680.34212912 g/mol
DTXSID50349279
Computed Properties
Molecular Weight:680.8
XLogP3:4.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:18
Exact Mass:680.34212912
Monoisotopic Mass:680.34212912
Topological Polar Surface Area:188
Heavy Atom Count:49
Complexity:1190
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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