기본 정보
- CAS
102714-80-7- 표준 SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C- InChIKey
FFMYWYKYVNEZIV-ROUUACIJSA-N- 분자식
- C24H37N3O6S
- 평균 분자량
- 495.6 g/mol
- 단동위원소 질량
- 495.24030708
개요
structure given in first source
이름 및 식별자
- 우선 이름
- t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
- IUPAC
- methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoate
- 현지명
- t-부틸옥시카르보닐-메티오닐-아미노부티릴-페닐알라닌메틸에스테르
- 영어명
- t-butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
- 분자식
- C24H37N3O6S
- 분자량
- 495.63
이름 및 동의어
102714-80-7Boc-met-aib-phe-omet-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl esterRefChem:187059methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoateBoc-L-Met-Aib-L-Phe-OMemethyl (2-((S)-2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanamido)-2-methylpropanoyl)-L-phenylalaninateDTXSID20908014(2S)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-(1-hydroxy-1-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]imino}-2-methylpropan-2-yl)-4-(methylsulfanyl)butanimidic acid2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-{1-hydroxy-1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]-2-methylpropan-2-yl}-4-(methylsulfanyl)butanimidic acidL-Phenylalanine, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-methionyl]-2-methylalanyl]-, methyl ester (9CI)t-부틸옥시카르보닐-메티오닐-아미노부티릴-페닐알라닌메틸에스테르
이름 더 보기
N-[N-[N-[(1Methylester (9CI)1-diMethylethoxy)carbonyl]-L-Methionyl]-2-Methylalanyl]-
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 701
물리화학적 성질
- 끓는 점
- 711.853 · 711.853±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.156 · 1.156±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 11.089 · 11.089±0.46(predicted)
화학 및 산업
공급사1 곳
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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