tert-butyl N-[(2S,3R)-1-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate
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![tert-butyl N-[(2S,3R)-1-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a97f104d01df4e6d8c9f664d2382cd9b.png "tert-butyl N-[(2S,3R)-1-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate")
tert-butyl N-[(2S,3R)-1-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate
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CAS No:
162540-10-5
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Formula:
C40H54N4O8
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Chemical Name:
tert-butyl N-[(2S,3R)-1-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate
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Synonyms:
162540-10-5;12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(3-(2-benzoxazolyl)propoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-;12-Oxa-2,6,10-triazatetradecanoic acid, 3-[[4-[3-(2-benzoxazolyl)propoxy]phenyl]methyl]-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-;BDBM689;CHEMBL301401;BMS-186318 analog 26;DTXSID30167397;(1R,2S(2S,3R))-N-(3-((3-(((1,1-Dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-hydroxy-1-(phenylmethyl)propyl)-N2-((phenylmethoxy)carbonyl)-L-alaninamide;[1R*,2S*(2S*,3R*)]-N-[3-[[3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-[(phenylmethoxy)carbonyl]-L-alaninamide;tert-butyl N-[(1S,2R)-3-[[(2R,3S)-4-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-(tert-butoxycarbonylamino)-2-hydroxy-butyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate;tert-butyl N-[(2S,3R)-4-{[(2R,3S)-4-{4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl}-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxybutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
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CAS No:
tert-butyl N-[(2S,3R)-1-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate Basic Attributes
718.9 g/mol
718.39416469 g/mol
DTXSID30167397
Computed Properties
Molecular Weight:718.9
XLogP3:6.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:21
Exact Mass:718.39416469
Monoisotopic Mass:718.39416469
Topological Polar Surface Area:164
Heavy Atom Count:52
Complexity:1050
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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