기본 정보
- CAS
183854-21-9- 표준 SMILES
O=C(Nc1nc2ccccc2[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
UWSVAGUSMAEUKO-QHQGJXSCSA-N- 분자식
- C49H44N8O5
- 평균 분자량
- 824.9 g/mol
- 단동위원소 질량
- 824.34346653
이름 및 식별자
- 우선 이름
- (4R-(4alpha,5alpha,6beta,7beta))-3,3'-((Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)-bis(methylene))bis(N-1H-benzimidazol-2-ylbenzamide)
- IUPAC
- N-(1H-benzimidazol-2-yl)-3-[[(4R,5S,6S,7R)-3-[[3-(1H-benzimidazol-2-ylcarbamoyl)phenyl]methyl]-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
이름 및 동의어
sd146(4R-(4alpha,5alpha,6beta,7beta))-3,3'-((Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)-bis(methylene))bis(N-1H-benzimidazol-2-ylbenzamide)DTXSID301714943,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-benzimidazol-2-yl)benzamide]N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-3-({3-[(1H-1,3-benzodiazol-2-yl)carbamoyl]phenyl}methyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}benzamide3,3'-(((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl)bis(methylene))bis(N-(1H-benzimidazol-2-yl)benzamide)N-(1H-1,3-benzodiazol-2-yl)-3-(((4R,5S,6S,7R)-3-((3-((1H-1,3-benzodiazol-2-yl)carbamoyl)phenyl)methyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl)methyl)benzamideRefChem:209200DTXCID9093985183854-21-9CHEMBL11266[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
이름 더 보기
1bwb1qbtBDBM155SCHEMBL29370566DB02729N-(1H-benzimidazol-2-yl)-3-[[(4R,5S,6S,7R)-3-[[3-(1H-benzimidazol-2-ylcarbamoyl)phenyl]methyl]-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamideNS00073026Q27451670
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 180 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,390
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
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