기본 정보
- 표준 SMILES
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1(C)CCOCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1- InChIKey
KCGCANNXLWNUJP-NBIIUVDXSA-N- 분자식
- C35H55N5O8S
- 평균 분자량
- 705.9 g/mol
이름 및 식별자
- 우선 이름
- [(S)-2-{(5R,8S)-10,10-Dim ethyl-8-[(1R,2S)-1-(pyrrolidine-1-sulfonylaminocarbonyl)-2-vinyl-cyclopropyl-carbamoyl]-7-aza-dispiro[3.0.4.1]dec-7-yl}-1-(4-methyl-tetrahydro-pyran-4-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(1S)-2-[(5R,8S)-8-[[(1R,2S)-2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]carbamate
이름 및 동의어
SCHEMBL583385KCGCANNXLWNUJP-NBIIUVDXSA-N[(S)-2-{(5R,8S)-10,10-Dim ethyl-8-[(1R,2S)-1-(pyrrolidine-1-sulfonylaminocarbonyl)-2-vinyl-cyclopropyl-carbamoyl]-7-aza-dispiro[3.0.4.1]dec-7-yl}-1-(4-methyl-tetrahydro-pyran-4-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester[(S)-2-{(5R,8S)-10,10-Dimethyl-8-[(1R,2S)-1-(pyrrolidine-1-sulfonylaminocarbonyl)-2-vinyl-cyclopropyl-carbamoyl]-7-aza-dispiro[3.0.4.1]dec-7-yl}-1-(4-methyl-tetrahydro-pyran-4-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 59533207
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,500
관련 반응
9건
화합물 노트
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