benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(E,3S)-5-methyl-1-methyl sulfonyl-hex-1-en-3-yl]carbamoyl]butyl]carbamoyl]butyl]carbamate
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![benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(E,3S)-5-methyl-1-methyl sulfonyl-hex-1-en-3-yl]carbamoyl]butyl]carbamoyl]butyl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/db50cb6b402c4c2b930c5691d7f5ae09.png "benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(E,3S)-5-methyl-1-methyl sulfonyl-hex-1-en-3-yl]carbamoyl]butyl]carbamoyl]butyl]carbamate")
benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(E,3S)-5-methyl-1-methyl sulfonyl-hex-1-en-3-yl]carbamoyl]butyl]carbamoyl]butyl]carbamate
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CAS No:
193482-47-2
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Formula:
C28H45N3O6S
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Chemical Name:
benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(E,3S)-5-methyl-1-methyl sulfonyl-hex-1-en-3-yl]carbamoyl]butyl]carbamoyl]butyl]carbamate
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Synonyms:
N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester;Bio1_000216;carbobenzyloxy-Leu-Leu-Leu-vinyl sulfone;CBiol_001930;KBioGR_000578;KBioSS_000578;CTK4E1266;KBio2_000578;KBio2_003146;KBio2_005714
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CAS No:
benzyl N-[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[(E,3S)-5-methyl-1-methyl sulfonyl-hex-1-en-3-yl]carbamoyl]butyl]carbamoyl]butyl]carbamate Basic Attributes
551.7
551.302907
Computed Properties
Molecular Weight:551.7
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:16
Exact Mass:551.30290734
Monoisotopic Mass:551.30290734
Topological Polar Surface Area:139
Heavy Atom Count:38
Complexity:874
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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