tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
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tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
structure -
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CAS No:
178047-82-0
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Formula:
C33H47N3O8
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Chemical Name:
tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
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Synonyms:
178047-82-0;2-Oxa-5,8,14-triazapentadecan-15-oic acid, 10-(1,3-benzodioxol-5-ylmethyl)-12-hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-;DTXSID80170417;2-Oxa-5,8,14-triazapentadecan-15-oic acid, 10-(1,3-benzodioxol-5-ylmethyl)- 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, [7S-(7R*,10S*,12R*,13R*)]-;tert-butyl n-[(1s,2s,4r)-4-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-2-hydroxy-5-[[(1s)-1-(2-methoxyethylcarbamoyl)-2-methyl-propyl]amino]-5-oxo-pentyl]carbamate
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CAS No:
tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate Basic Attributes
613.7 g/mol
613.33631547 g/mol
DTXSID80170417
Computed Properties
Molecular Weight:613.7
XLogP3:4.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:613.33631547
Monoisotopic Mass:613.33631547
Topological Polar Surface Area:144
Heavy Atom Count:44
Complexity:904
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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