기본 정보
- 표준 SMILES
C=CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(NC(C)=O)C(=O)NC(C)(C)C- InChIKey
PSNFRMXIQNDKLS-LIRRHRJNSA-N- 분자식
- C19H33N3O4
- 평균 분자량
- 367.5 g/mol
- 단동위원소 질량
- 367.24710654
이름 및 식별자
- 우선 이름
- rel-(3R,4S)-tert-Butyl 3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3R,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-prop-2-enylpyrrolidine-1-carboxylate
이름 및 동의어
1374334-12-9rel-(3R,4S)-tert-Butyl 3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylate(3R,4S)-tert-butyl 3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylatetert-butyl (3R,4S)-3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylateSCHEMBL6114151PSNFRMXIQNDKLS-LIRRHRJNSA-NMFCD34602163BS-45257F72279rel-(3R,4S)-tert-Butyl3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-(acetylamino)-3-[[(1,1-dimethylethyl)amino]carbonyl]-4-(2-propen-1-yl)-, 1,1-dimethylethyl ester, (3R,4S)-rel-tert-butyl (3R,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-prop-2-enylpyrrolidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 69669632
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 574
관련 반응
4건
화합물 노트
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