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3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)-2-[3-[[3-[(4-fluorophenyl)thio]-2-[(methylsulfonyl)amino]-1-oxopropyl]amino]-2-hydroxy-4-phenylbutyl]decahydro-,[3S-[2[2S*,3R*(R*)],3a,4ab,8ab]]- (9CI) (159878-26-9)

Identification
Name:3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)-2-[3-[[3-[(4-fluorophenyl)thio]-2-[(methylsulfonyl)amino]-1-oxopropyl]amino]-2-hydroxy-4-phenylbutyl]decahydro-,[3S-[2[2S*,3R*(R*)],3a,4ab,8ab]]- (9CI)
Synonyms:(3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-3,4 ,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
CAS:159878-26-9
Molecular Formula: C34H49 F N4 O5 S2
Molecular Weight: 676.9051
InChI: InChI=1/C34H49FN4O5S2/c1-34(2,3)37-33(42)30-19-24-12-8-9-13-25(24)20-39(30)21-31(40)28(18-23-10-6-5-7-11-23)36-32(41)29(38-46(4,43)44)22-45-27-16-14-26(35)15-17-27/h5-7,10-11,14-17,24-25,28-31,38,40H,8-9,12-13,18-22H2,1-4H3,(H,36,41)(H,37,42)/t24-,25+,28-,29+,30-,31+/m0/s1
Molecular Structure: (C34H49FN4O5S2) (3S,4aS,8aS)-2-[(2R,3S)-3-[[(2S)-3-(4-fluorophenyl)sulfanyl-2-methanes ulfonamido-propanoyl]amino]-2...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:1.27g/cm3
Refractive index:1.605
Flash Point: °C
Safety Data
 

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