 Home > Encyclopedia > tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate structure

CAS No:
181038-60-8
Formula:
C34H50N4O7
Chemical Name:
tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
Synonyms:
181038-60-8;2,5,8,14-Tetraazapentadecan-15-oic acid, 10-(1,3-benzodioxol-5-ylmethyl)-12-hydroxy-2-methyl-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-;2,5,8,14-Tetraazapentadecan-15-oic acid, 10-(1,3-benzodioxol-5-ylmethyl)-12-hydroxy-2-methyl-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, [7S-(7R*,10S*,12R*,13R*)]-;DTXSID20171064;tert-butyl n-[(1s,2s,4r)-4-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-[[(1s)-1-(2-dimethylaminoethylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-5-oxo-pentyl]carbamate

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tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate Basic Attributes

Molecular Weight：

626.8 g/mol

Exact Mass：

626.36794995 g/mol

DSSTox ID：

DTXSID20171064

Characteristics

PSA：

139 Å²

Computed Properties

Molecular Weight:626.8
XLogP3:4.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:626.36794995
Monoisotopic Mass:626.36794995
Topological Polar Surface Area:139
Heavy Atom Count:45
Complexity:934
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

Basic Attributes
Characteristics
Computed Properties
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