기본 정보
- 표준 SMILES
CC(C)(CC(=O)N[C@@H]1CCc2ccccc2NC1=O)NC(=O)OC(C)(C)C- InChIKey
JTEPJIJJPBVTMB-OAHLLOKOSA-N- 분자식
- C20H29N3O4
- 평균 분자량
- 375.5 g/mol
- 단동위원소 질량
- 375.21580641
이름 및 식별자
- 우선 이름
- 3-t-butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-benzazepin-3(R)-yl]butanamide
- IUPAC
- tert-butyl N-[2-methyl-4-oxo-4-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]butan-2-yl]carbamate
이름 및 동의어
SCHEMBL8329105JTEPJIJJPBVTMB-OAHLLOKOSA-N3-t-butoxycarbonylamino-3-methyl -N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R)-yl]-butanamide3-t-butoxycarbonylamino-3-methyl -N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-(R) -yl]-butanamide3-t-Butoxycarbonylamino-3-methyl- N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R)-yl]-butanamide3-t-butoxycarbonylamino-3-methyl- N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R)-yl]butanamide3-t-butoxycarbonylamino-3-methyl- N-[2,3,4,5-tetrahydro-2-oxo-1H-benzazepin-3(R)-yl]butanamide3-t-butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R) -yl]-butanamide3-t-Butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R)-yl]-butanamide3-t-Butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R)-yl]butanamide3-t-butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-(R)-yl]-butanamide3-t-butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2oxo-1H-1-benzazepin-3(R)-yl]-butanamide
데이터베이스 식별자
- PubChem CID
- 10474604
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 96.5 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 568
관련 반응
32건
연결된 노트
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