3-[N'-(3,5-Difluorophenyl-a-hydroxyacetyl)-L-alaninyl]amino-2,4-dioxo-1-phenyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
기본 정보
- 표준 SMILES
C[C@H](NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)c2ccccc2N(c2ccccc2)C1=O- InChIKey
GPPNNSPIGZCQNO-XGSULNKDSA-N- 분자식
- C27H24F2N4O5
- 평균 분자량
- 522.5 g/mol
이름 및 식별자
- 우선 이름
- 3-[N'-(3,5-Difluorophenyl-a-hydroxyacetyl)-L-alaninyl]amino-2,4-dioxo-1-phenyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- IUPAC
- (2S)-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(1-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl)propanamide
이름 및 동의어
SCHEMBL4412059GPPNNSPIGZCQNO-XGSULNKDSA-N3-[N'-(3,5-Difluorophenyl-a-hydroxyacetyl)-L-alaninyl]amino-2,4-dioxo-1-phenyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenyl-alpha-hydroxyacetyl)-L-alaninyl]amino-2,4-dioxo-1-phenyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenyl-alpha-hydroxyacetyl)-L-alaninyl]amino-2,4dioxo-1-phenyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
데이터베이스 식별자
- PubChem CID
- 22984129
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 891
관련 반응
11건
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