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SEMAGACESTAT;(2S)-2-HYDROXY-N-[(2S)-1-[(1S)-3-METHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[D]-AZEPIN-1-YL-AMINO]-1-OXOPROPAN-2-YL]-3-METHYLBUTANAMIDE

View entire compound with spectra: 1 NMR

SEMAGACESTAT;(2S)-2-HYDROXY-N-[(2S)-1-[(1S)-3-METHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[D]-AZEPIN-1-YL-AMINO]-1-OXOPROPAN-2-YL]-3-METHYLBUTANAMIDE
SpectraBase Compound ID 67UnRAmv3Ln
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 PKXWXXPNHIWQHW-RCBQFDQVSA-N
Mol Weight 361.44 g/mol
Molecular Formula C19H27N3O4
Exact Mass 361.200156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H31pIieMBX4
Name SEMAGACESTAT;(2S)-2-HYDROXY-N-[(2S)-1-[(1S)-3-METHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[D]-AZEPIN-1-YL-AMINO]-1-OXOPROPAN-2-YL]-3-METHYLBUTANAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27N3O4
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 PKXWXXPNHIWQHW-RCBQFDQVSA-N
Literature Reference Author P.YI,C.HADDEN,P.KULANTHAIVEL,N.CALVERT,W.ANNES,T.BROWN,R.J.B ARBUCH,A.CHAUDHARY,M
Literature Reference Citation DRUG.MET.DISP.,38,554(2010)
Literature Reference DOI 10.1124/dmd.109.030841
Molecular Weight 361.441 g/mol
Source File Reference UWLU74062