1,1-dimethylethyl 4-({4-[(2S,4R)-1-acetyl-2-methyl-4-({[(1-methylethyl)oxy]carbonyl}amino)-1,2,3,4-tetrahydro-6-quinolinyl]phenyl}methyl)-3-oxo-1-piperazinecarboxylate
기본 정보
- 표준 SMILES
CC(=O)N1c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4=O)cc3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C- InChIKey
FVTFMKYYUAQXKO-KDYSTLNUSA-N- 분자식
- C32H42N4O6
- 평균 분자량
- 578.7 g/mol
- 단동위원소 질량
- 578.31043507
이름 및 식별자
- 우선 이름
- 1,1-dimethylethyl 4-({4-[(2S,4R)-1-acetyl-2-methyl-4-({[(1-methylethyl)oxy]carbonyl}amino)-1,2,3,4-tetrahydro-6-quinolinyl]phenyl}methyl)-3-oxo-1-piperazinecarboxylate
- IUPAC
- tert-butyl 4-[[4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-3-oxopiperazine-1-carboxylate
이름 및 동의어
SCHEMBL1873375FVTFMKYYUAQXKO-KDYSTLNUSA-N1,1-dimethylethyl 4-({4-[(2S,4R)-1-acetyl-2-methyl-4-({[(1-methylethyl)oxy]carbonyl}amino)-1,2,3,4-tetrahydro-6-quinolinyl]phenyl}methyl)-3-oxo-1-piperazinecarboxylate
데이터베이스 식별자
- PubChem CID
- 67195489
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 988
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1건
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