기본 정보
- 표준 SMILES
C=CCCC(C)C[C@@H](C)C(NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Oc2ncc(OC)c3ccccc23)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C=C- InChIKey
MBGXJBIJPZJMRO-PISVDNASSA-N- 분자식
- C40H55N5O9S
- 평균 분자량
- 782 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl ((3R)-1-((2S,4R)-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)-4-((4-methoxyisoquinolin-1-yl)oxy)pyrrolidin-1-yl)-3,5-dimethyl-1-oxonon-8-en-2-yl)carbamate
- IUPAC
- tert-butyl N-[(3R)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(4-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,5-dimethyl-1-oxonon-8-en-2-yl]carbamate
이름 및 동의어
SCHEMBL13829943MBGXJBIJPZJMRO-PISVDNASSA-Ntert-butyl ((3R)-1-((2S,4R)-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)-4((4-methoxyisoquinolin-1-yl)oxy)pyrrolidin-1-yl)-3,5-dimethyl-1-oxonon-8-en-2-yl)carbamatetert-butyl ((3R)-1-((2S,4R)-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)-4-((4-methoxyisoquinolin-1-yl)oxy)pyrrolidin-1-yl)-3,5-dimethyl-1-oxonon-8-en-2-yl)carbamate
데이터베이스 식별자
- PubChem CID
- 86683239
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 191 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,540
관련 반응
1건
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