tert-butyl N-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]carbamate

Modify Date: 2025-12-31 11:07:02

tert-butyl N-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]carbamate structure	Common Name	tert-butyl N-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]carbamate
	CAS Number	129491-65-2	Molecular Weight	500.62700
	Density	1.15g/cm3	Boiling Point	680.3ºC at 760mmHg
	Molecular Formula	C₂₈H₄₀N₂O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	365.2ºC

Name	tert-butyl N-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]carbamate

Density	1.15g/cm3
Boiling Point	680.3ºC at 760mmHg
Molecular Formula	C₂₈H₄₀N₂O₆
Molecular Weight	500.62700
Flash Point	365.2ºC
Exact Mass	500.28900
PSA	124.10000
LogP	4.38900
Vapour Pressure	1.94E-19mmHg at 25°C
Index of Refraction	1.55
InChIKey	XEFORNHNQOHGSE-NEWJYFPISA-N
SMILES	CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

Precursor 4
CAS#:24424-99-5 Di-tert-butyl d... CAS#:247575-93-5 (2S,3R,4S,5S)-2... CAS#:72155-45-4 N-Boc-L-phenyla... CAS#:111138-83-1 benzyl n,n-dibe...
DownStream 0

Name: Inhibitory activity against recombinant HIV-1 Protease
Source: ChEMBL
Target: Pol polyprotein
External Id: CHEMBL769255

Name: The compound was tested for its affinity against HIV-1 protease
Source: ChEMBL
Target: Pol polyprotein
External Id: CHEMBL763099

Name: HIV Enzyme Data
Source: NIAID
Target: N/A
External Id: HIV Enzyme Data

Name: Inhibition of HIV-1 protease
Source: ChEMBL
Target: Pol polyprotein
External Id: CHEMBL769406

Name: Binding affinity to HIV-1 protease
Source: ChEMBL
Target: Pol polyprotein
External Id: CHEMBL768260

Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data

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