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기본 정보
- CAS
159565-70-5- 표준 SMILES
Cc1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc(Cl)n1- InChIKey
VSPVBJSAOGVXFP-STSTVOBVSA-N- 분자식
- C34H50ClN5O6S
- 평균 분자량
- 692.323 g/mol
- 단동위원소 질량
- 691.317033
이름 및 식별자
- 우선 이름
- N-tert-Butyl-4-[(2-chloro-6-methylpyridin-4-yl)methyl]-1-(3-{[{[1,1-dioxo-2-(propan-2-yl)-1lambda~6~-thiolan-3-yl]oxy}(hydroxy)methylidene]amino}-2-hydroxy-4-phenylbutyl)piperazine-2-carboximidic acid
- IUPAC
- (2S)-N-tert-Butyl-4-[(2-chloro-6-methylpyridin-4-yl)methyl]-1-[(2R,3S)-3-{[{[(2R,3R)-1,1-dioxo-2-(propan-2-yl)-1lambda~6~-thiolan-3-yl]oxy}(hydroxy)methylidene]amino}-2-hydroxy-4-phenylbutyl]piperazine-2-carboximidic acid
- 영어명
- Carbamic acid, [3-[4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[[(1,1- dimethylethyl)amino]carbonyl]-1-piperazinyl]-2-hydroxy-1-(phenylmethyl )propyl]-, tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl ester, [ 2R-[2a,3a[1S*,2R*,3(S*)]]]-
- 분자식
- C34H50ClN5O6S
- 분자량
- 692.31
이름 및 동의어
872L738872L-738872L 738872Carbamic acid, N-[(1S,2R)-3-[(2S)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (2R,3R)-tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl esterCarbamic acid, [3-[4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[[(1,1- dimethylethyl)amino]carbonyl]-1-piperazinyl]-2-hydroxy-1-(phenylmethyl )propyl]-, tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl ester, [ 2R-[2a,3a[1S*,2R*,3(S*)]]]-
데이터베이스 식별자
- CAS
159565-70-5- PubChem CID
- 462737
- DTXSID
DTXSID30936126- ChEMBL
CHEMBL55586
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