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
- 형식 전하
- 0
- 복잡도
- 837
관련 반응
11건
화합물 노트
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