3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one

HCID 22984074

기본 정보

표준 SMILES
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O
InChIKey
JNGZXGGOCLZBFB-YPHZTSLFSA-N
분자식
C27H24F2N4O3
평균 분자량
490.5 g/mol

이름 및 식별자

우선 이름
3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
IUPAC
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

이름 및 동의어

CHEMBL117056?-Secretase Inhibitor BZ?-Secretase Inhibitor XXISCHEMBL453583JNGZXGGOCLZBFB-YPHZTSLFSA-NBDBM50223739(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionamide3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1-H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5phenyl-1H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5phenyl-1H-1,4benzodiazepin-2-one
이름 더 보기
3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one

데이터베이스 식별자

PubChem CID
22984074
ChEMBL
CHEMBL117056

물성

구조 계산 물성

XLogP
3.6
극성 표면적
90.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
36

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