기본 정보
- CAS
147949-29-9- 표준 SMILES
CC(C)[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O- InChIKey
DYRQCFKJNPXYSL-QXWHLYFESA-N- 분자식
- C32H51N3O6S
- 평균 분자량
- 605.8 g/mol
- 단동위원소 질량
- 605.34985753
이름 및 식별자
- 우선 이름
- Carbamic acid, ((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, (2S,3S)-tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl ester
- IUPAC
- [(2S,3S)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
이름 및 동의어
147949-29-9Carbamic acid, ((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, (2S,3S)-tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl esterDTXSID60163847Carbamic acid, [(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (2S,3S)-tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl esterRefChem:331669DTXCID1086338CHEMBL261340[1-Benzyl-3-(3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid 2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl esterBDBM50285973AKOS040752333(2S,3S)-1,1-Dioxo-2-(propan-2-yl)-1lambda~6~-thiolan-3-yl {(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid (2S,3S)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester
이름 더 보기
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,020
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