AG002KI7

209984-57-6 | Benzeneacetamide, N-[(1S)-2-[[(7S)-6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-α-hydroxy-, (αS)-

AG002KI7

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CAS Number	209984-57-6
Catalog Number	AG002KI7(AGN-PC-0QWZNZ)
Chemical Name	Benzeneacetamide, N-[(1S)-2-[[(7S)-6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-α-hydroxy-, (αS)-
IUPAC Name	(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanamide
InChI	InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1
InChI Key	ULSSJYNJIZWPSB-CVRXJBIPSA-N
MDL Number	MFCD09832551
Molecular Formula	C26H23F2N3O4
Molecular Weight	479.4753
SMILES	C[C@H](NC([C@H](C1=CC(F)=CC(F)=C1)O)=O)C(N[C@H]2C3=CC=CC=C3C4=CC=CC=C4N(C)C2=O)=O
Synonyms	LY 411,575, LY 411575, LY 450139, LY-411,575, LY-411575, LY411,575, LY411575, LY450139, N2-((2S)-2-(3,5-difluorophenyl)-2-hydroxyethanoyl)-N1-((7S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo(b,d)azepin-7-yl)-L-alaninamide, N2-(2-(3,5-difluorophenyl)-2-hydroxyethanoyl)-N1-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo(b,d)azepin-7-yl)alaninamide, Semagacestat, 209984-57-6, LY-411575, LY411575, LY 411575, CHEMBL392068, CHEBI:87359, (S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide, (2S)-2-[[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][3]benzazepin-7-yl]propanamide, (aS)-N-[(1S)-2-[[(7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-alpha-hydroxybenzeneacetamide, SCHEMBL33171, AOB2210, DTXSID40439850, EX-A2095, 2530AH, BDBM50241259, MFCD09832551, ZINC28824948, AKOS027422645, ACN-038159, BCP9000887, CS-0309, LSN-411575, RL02594, SB19497, MRF-0000002, NCGC00346841-01, BC638837, HY-50752, LS-193033, FT-0772846, S2714, SW219335-1, W-5404, LY-411575, >=97% (HPLC), 984B576, J-013751, 209984-57-6 pound not LY 411575 pound not LY-411575, (2S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetamido)-N-((7S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide, (2S)-2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetamido]-N-[(10S)-8-methyl-9-oxo-8-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-10-yl]propanamide, (2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxy-acetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanamide, (alphaS)-N-[(1S)-2-[[(7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-alpha-hydroxybenzeneacetamide, (S)-2-[(S)-2-(3,5-difluoro-phenyl)-2-hydroxy-acetylamino]-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-propionamide, Benzeneacetamide, N-[(1S)-2-[[(7S)-6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-a-hydroxy-, (aS)-, Benzeneacetamide, N-[(1S)-2-[[(7S)-6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-alpha-hydroxy-, (alphaS)-, ly 411575;(as)-n-((1s)-2-(((7s)-6,7-dihydro-5-methyl-6-oxo-5h-dibenz(b,d)azepin-7-yl)amino)-1-methyl-2-oxoethyl)-3,5-difluoro-alpha-hydroxybenzeneacetamide, M/A, N(2)-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-N-[(7S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-L-alaninamide, n(2)-[(2s)-2-(3,5-difluorophenyl)-2-hydroxyethanoyl]-n(1)-[(7s)-5-methyl-6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl]-l-alaninamide, n2-[(2s)-2-(3,5-difluorophenyl)-2-hydroxyethanoyl]-n1-[(7s)-5-methyl-6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl]-l-alaninamide, cc-581, C26H23F2N3O4, ULSSJYNJIZWPSB-CVRXJBIPSA-N, CID10435235, CID 10435235, A4019, A11176, LY411575, 98%, a gamma-secretase inhibitor - 25MG 25mg, (aS)-N-[(1S)-2-[[(7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-?-hydroxybenzeneacetamide,

Complexity	789
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	479.166g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	479.484g/mol
Monoisotopic Mass	479.166g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	98.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number