司马西特 | 425386-60-3

Pro_Molecular_Structure:

pro_cdbregno:CCD00901234

司马西特

pro_cas: 425386-60-3

pro_formula:C19 H27 N3 O4

pro_molWeight:361.439

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basic_info
Product_Name：	司马西特
CAS：	425386-60-3
中文同义词：	(2S)-2-羟基-3-甲基-N-[(1S)-1-甲基-2-氧代-2-[[(1S)-2,3,4,5-四氢-3-甲基-2-氧代-1H-3-苯并氮杂卓-1-基]氨基]乙基]丁酰胺 ; 司马西特
EnglishSynonyms：	(2S)-2-HYDROXY-3-METHYL-N-[(1S)-1-METHYL-2-OXO-2-[[(1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL]AMINO]ETHYL]BUTANAMIDE ; SEMAGACESTAT ; SEMAGACESTAT (LY450139) ; BUTANAMIDE,2-HYDROXY-3-METHYL-N-[(1S)-1-METHYL-2-OXO-2-[[(1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL]AMINO]ETHYL]-,(2S)- ; (2S)-2-HYDROXY-3-METHYL-N-[(2S)-1-[[(1S)-3-METHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-1-YL]AMINO]-1-OXOPROPAN-2-YL]BUTANAMIDE ; (S)-2-HYDROXY-3-METHYL-N-((S)-1-((S)-3-METHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-1-YLAMINO)-1-OXOPROPAN-2-YL)BUTANAMIDE
pro_mdlNumber：	MFCD09970409
pro_acceptors：	7
pro_donors：	3
pro_smile：	CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C1=O)C)O
InChi：	InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1
InChiKey：	InChIKey=PKXWXXPNHIWQHW-RCBQFDQVSA-N
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