기본 정보
- 표준 SMILES
CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)COCC1CCCCN1C(=O)OC(C)(C)C- InChIKey
BJQNJHPSUHOOAV-HCMUIWFFSA-N- 분자식
- C38H50N4O6
- 평균 분자량
- 658.8 g/mol
이름 및 식별자
- 우선 이름
- 2-([N-methyl-N-{(1R)-1-(N-methyl-N-[(1R)-1-(methylcarbamoyl)-2-phenylethyl]carbamoyl)-2-(2-naphthyl)ethyl}carbamoyl]methoxymethyl)piperidin-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[2-[methyl-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-oxoethoxy]methyl]piperidine-1-carboxylate
이름 및 동의어
SCHEMBL6319921BJQNJHPSUHOOAV-HCMUIWFFSA-N2-([N-methyl-N-{(1R)-1-(N-methyl-N-[(1R)-1-(methylcarbamoyl)-2-phenylethyl]carbamoyl)-2-(2-naphthyl)ethyl}carbamoyl]methoxymethyl)piperidin-1-carboxylic acid tert-butyl ester2-([n-methyl-n{(1r)-1-(n-methyl-n-[(1r)-1-(methylcarbamoyl)-2-phenylethyl]carbamoyl)-2-(2-naphthyl)ethyl}carbamoyl]methoxymethyl)piperidin-1-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 53685594
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,070
관련 반응
4건
화합물 노트
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