기본 정보
- 표준 SMILES
CC(=O)Nc1cc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)CC(C)(C)CCC#N)ccc1F- InChIKey
NTAZNSDJXHTKTN-PASGRGCRSA-N- 분자식
- C32H41FN4O8S
- 평균 분자량
- 660.8 g/mol
- 단동위원소 질량
- 660.26291361
이름 및 식별자
- 우선 이름
- {(1S,2R)-3-[(3-Acetylamino-4-fluoro-benzenesulfonyl)-(4-cyano-2,2-dimethyl-butyl)-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)hexahydro-furo[2,3-b]furan-3-yl ester
- IUPAC
- [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3-acetamido-4-fluorophenyl)sulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
이름 및 동의어
{(1S,2R)-3-[(3-Acetylamino-4-fluoro-benzenesulfonyl)-(4-cyano-2,2-dimethyl-butyl)-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)hexahydro-furo[2,3-b]furan-3-yl ester{(1S,2R)-3-[(3-Acetylamino-4-fluoro-benzenesulfonyl)-(4-cyano-2,2-dimethyl-butyl)-amino)-1-benzyl-2-hydroxy-propyl}-carbamic Acid (3R,3aS,6aR)hexahydro-furo[2,3-b]furan-3-yl EsterSCHEMBL1601885NTAZNSDJXHTKTN-PASGRGCRSA-N[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[(3-acetamido-4-fluoro-phenyl)sulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate{(1S,2R)-3-[(3-Acetylamino-4-fluoro-benzenesulfonyl)-(4-cyano-2,2-dimethyl-butyl)-amino]-1-benzyl-2-hydroxypropyl}-carbamic Acid (3R,3aS,6aR)hexahydro-furo[2,3-b]furan-3-yl Ester
데이터베이스 식별자
- PubChem CID
- 480327
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 176 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,180
관련 반응
4건
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