기본 정보
- CAS
197650-99-0- 표준 SMILES
CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1- InChIKey
DIWDGCJUJQGVOU-RUZDIDTESA-N- 분자식
- C30H35N5O3
- 평균 분자량
- 513.6 g/mol
- 단동위원소 질량
- 513.27399
이름 및 식별자
- 우선 이름
- 2-Amino-2-methyl-N-((3R)-2,3,4,5-tetrahydro-1-((2'-((((methylamino)carbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)methyl)-2-oxo-1H-1-benzazepin-3-yl)propanamide
- IUPAC
- 2-amino-2-methyl-N-[(3R)-1-[[4-[2-[(methylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]propanamide
이름 및 동의어
UNII-FHV8MGN2OEFHV8MGN2OEL-739943 free base197650-99-0CHEMBL479382-Amino-2-methyl-N-((3R)-2,3,4,5-tetrahydro-1-((2'-((((methylamino)carbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)methyl)-2-oxo-1H-1-benzazepin-3-yl)propanamidePropanamide, 2-amino-2-methyl-N-((3R)-2,3,4,5-tetrahydro-1-((2'-((((methylamino)carbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)methyl)-2-oxo-1H-1-benzazepin-3-yl)-SCHEMBL7438263BDBM501873132-amino-2-methyl-N-[(3R)-1-[[4-[2-[(methylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]propanamide1-methyl-1-((R)-1-{2''-[(3-methyl-ureido)-methyl]-biphenyl-4-ylmethyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl)-ethyl-ammonium2-Amino-2-methyl-N-((R)-1-{2''-[(3-methyl-ureido)-methyl]-biphenyl-4-ylmethyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-propionamide
데이터베이스 식별자
- CAS
197650-99-0- PubChem CID
- 9807597
- ChEMBL
CHEMBL47938- UNII
- FHV8MGN2OE
- Nikkaji
- J962.819C
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 825
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