기본 정보
- 표준 SMILES
O=C(CCCC(=O)N1CCCCC1)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN(Cc1cccc(I)c1)C(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
WUBOIYVGMJGKLC-ZESVVUHVSA-N- 분자식
- C42H44F2IN3O5
- 평균 분자량
- 835.7 g/mol
이름 및 식별자
- 우선 이름
- 1-9H-fluoren-9-ylmethyl (2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino}butyl(3-iodobenzyl)carbamate
- IUPAC
- 9H-fluoren-9-ylmethyl N-[(2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-[(5-oxo-5-piperidin-1-ylpentanoyl)amino]butyl]-N-[(3-iodophenyl)methyl]carbamate
이름 및 동의어
1-9H-fluoren-9-ylmethyl(2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino)butyl(3-iodobenzyl)carbamate1-9H-fluoren-9-ylmethyl(2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino}butyl(3-iodobenzyl)carbamateSCHEMBL4795529WUBOIYVGMJGKLC-ZESVVUHVSA-N1-9H-fluoren-9-ylmethyl (2R,3S)-4-(3,5-difluorophenyl)-2-hydroxy-3-{[5-oxo-5-(1-piperidinyl)pentanoyl]amino}butyl(3-iodobenzyl)carbamate
데이터베이스 식별자
- PubChem CID
- 58759852
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 99.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,160
관련 반응
4건
화합물 노트
불러오는 중…