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tert-Butyl [(3S,5S,6S,8S)-8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,9-dimethyldecan-5-yl]carbamate

HCID 53348234
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기본 정보이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
173338-07-3
표준 SMILES
COCCCOc1cc(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC
InChIKey
OKPJBCVKXMMXTJ-LJWNLINESA-N
분자식
C35H61N3O8
평균 분자량
651.886 g/mol
단동위원소 질량
651.44586591

이름 및 식별자

우선 이름
tert-Butyl [(3S,5S,6S,8S)-8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,9-dimethyldecan-5-yl]carbamate
IUPAC
tert-Butyl [(3S,5S,6S,8S)-8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,9-dimethyldecan-5-yl]carbamate
영어명
CarbaMic acid, [4-[[(3-aMino-2,2-diMethyl-3-oxopropyl)aMino]carbonyl]-2-hydroxy-1-[2-[[4-Methoxy-3-(3-Methoxypropoxy)phenyl]Methyl]-3-Methylbutyl]-5-Methylhexyl]-, 1,1-diMethylethyl ester, [1S-[1R*(R*),2R*,4R*]]-
분자식
C35H61N3O8
분자량
651.87

이름 및 동의어

Aliskiren t-Butyl Carbamate IMPAliskiren t-Butyl Carbamate Impuritytert-Butyl ((3S,5S,6S,8S)-8-((3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl)-6-hydrxy-3-(4-methoxtert-Butyl ((3S,5S,6S,8S)-8-((3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl)-6-hydr xy-3-(4-methoxy-2-Methyl-2-propanyl {8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,9-dimethyl-5-decanyl}carbamateTERT-BUTYL (3S,5S,6S,8S)-8-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYLCARBAMOYL)-6-HYDROXY-3-(4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL)-2,9-DIMETHYLDECAN-5-YLCARBAMATEtert-Butyl (3S,5S,6S,8S)-8-(3-amino-2,2- dimethyl-3-oxopropylcarbamoyl)-6-hydroxy-3-(4-methoxy-3-(3-hethoxypropoxy) benzyl)-2,9-dimethyldecan-5-ylcarbamatetert-Butyl ((3S,5S,6S,8S)-8-((3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl)-6-hydrxy-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-2,9-dimethyldecan-5-yl)carbamatetert-butyl N-[(1S,2S,4S)-4-[(3-aMino-2,2-diMethyl-3-oxo-propyl)carbaMoyl]-2-hydroxy-1-[(2S)-2-[[4-Methoxy-3-(3-Methoxypropoxy)phenyl]Methyl]-3-Methyl-butyl]-5-Methyl-hexyl]carbaMate

물성

물리화학적 성질

녹는점
141 · 141-142℃ (ethyl ether hexane )
끓는 점
810.7 · 810.7±65.0 °C(Predicted)
밀도
1.071 · 1.071±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
12.02 · 12.02±0.46(Predicted)

공급사

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공개 문의

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관련 반응

2건
반응 기록 만들기
HRID 500015 반응식
HRID 500015생성물로uspto-grants-2010_08
HRID 500016 반응식
HRID 500016반응물로uspto-grants-2010_08

화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성관련 반응화합물 노트
N-[(1S,2S,4S)-4-[[(3-Amino-2,2-dimethyl-3-oxopropyl)amino]carbonyl]-2-hydroxy-1-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-5-methylhexyl]carbamic acid 1,1-dimethylethyl ester

데이터베이스 식별자

CAS
173338-07-3
PubChem CID
53348234
DTXSID
DTXSID90693581
UNII
S744PYU6D7
EC Number
605-675-0
Nikkaji
J2.829.789K