기본 정보
- 표준 SMILES
C=CCCCCN(C)C(=O)C1CC(O)CC1C(=O)NC1(C(=O)OCC)CC1C=C- InChIKey
NSTKOMXWIKNEJZ-UHFFFAOYSA-N- 분자식
- C22H34N2O5
- 평균 분자량
- 406.5 g/mol
이름 및 식별자
- 우선 이름
- 1-{[2-(Hex-5-enyl-methyl-carbamoyl)-4-hydroxy-cyclopentanecarbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 2-ethenyl-1-[[2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentanecarbonyl]amino]cyclopropane-1-carboxylate
이름 및 동의어
922727-93-3ethyl (1R,2S)-2-ethenyl-1-[[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentanecarbonyl]amino]cyclopropane-1-carboxylateSCHEMBL995103NSTKOMXWIKNEJZ-UHFFFAOYSA-N(1R,2S)-ethyl 1-((1R,2R,4S)-2-(hex-5-en-1-yl(Methyl)carbaMoyl)-4-hydroxycyclopentanecarboxaMido)-2-vinylcyclopropanecarboxylate1-{[2-(Hex-5-enyl-methyl-carbamoyl)-4-hydroxy-cyclopentanecarbonyl]-amino}-2-vinyl-cyclopropane carboxylic acid ethyl ester1-{[2-(Hex-5-enyl-methyl-carbamoyl)-4-hydroxy-cyclopentanecarbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester1-{[2-(Hex-5-enylmethylcarbamoyl)-4-hydroxycyclo-pentanecarbonyl]amino}-2-vinylcyclopropane carboxylic acid ethyl ester1-{[2-(Hex-5-enylmethylcarbamoyl)-4-hydroxycyclopentane carbonyl]amino}-2-vinylcyclopropane carboxylic acid ethyl ester1-{[2-(Hex-5-enylmethylcarbamoyl)-4-hydroxycyclopentanecarbonyl]amino}-2-vinylcyclopropane carboxylic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 66870607
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 649
관련 반응
16건
화합물 노트
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