1,3-BENZENEDICARBOXAMIDE, N1-[(1S,2R)-3-(CYCLOPROPYLAMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N3-[(1R)-1-PHENYLETHYL]-

CAS No.
797035-11-1
CCD No.
CCD00710194
Formula
C31 H38 N4 O5 S
MolWeight
578.73

Basic Information

Product Name: 1,3-BENZENEDICARBOXAMIDE, N1-[(1S,2R)-3-(CYCLOPROPYLAMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N3-[(1R)-1-PHENYLETHYL]-
CAS: 797035-11-1
English Synonyms: N1-[(1S,2R)-3-(CYCLOPROPYLAMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N1,3-BENZENEDICARBOXAMIDE ; N-((1S,2R)-1-BENZYL-3-CYCLOPROPYLAMINO-2-HYDROXY-PROPYL)-5-(METHANESULFONYL-METHYL-AMINO)-N'-((R)-1-PHENYL-ETHYL)-ISOPHTHALAMIDE ; 1,3-BENZENEDICARBOXAMIDE, N1-[(1S,2R)-3-(CYCLOPROPYLAMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N3-[(1R)-1-PHENYLETHYL]- ; BACE-1 INHIBITOR ; BETA-SECRETASE INHIBITOR IV
MDL Number.: MFCD09037559
H bond acceptor: 9
H bond donor: 4
Smile: C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O
InChi: InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
InChiKey: InChIKey=VPNIQGRFZCTBEZ-SPTGULJVSA-N

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