기본 정보
- CAS
368870-67-1- 표준 SMILES
CCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C- InChIKey
RWWMZVCEIUIEHQ-WIIAZBTESA-N- 분자식
- C41H61N5O9S
- 평균 분자량
- 800 g/mol
개요
Tubulysin F is a dipeptide.
이름 및 식별자
- 우선 이름
- Tubulysin F
- IUPAC
- (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
- 영어명
- Tubulysin F
- 분자식
- C41H61N5O9S
- 분자량
- 800.02
이름 및 동의어
Tubulysin F(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(propanoyloxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid(2S,4R)-4-(((2-((1R,3R)-1-(acetyloxy)-3-((2S,3S)-2-((hydroxy((2R)-1-methylpiperidin-2-yl)methylidene)amino)-3-methyl-N-((propanoyloxy)methyl)pentanamido)-4-methylpentyl)-1,3-thiazol-4-yl)(hydroxy)methylidene)amino)-2-methyl-5-phenylpentanoate(2S,4R)-4-((2-((1R,3R)-1-acetyloxy-4-methyl-3-(((2S,3S)-3-methyl-2-(((2R)-1-methylpiperidine-2-carbonyl)amino)pentanoyl)-(propanoyloxymethyl)amino)pentyl)-1,3-thiazole-4-carbonyl)amino)-2-methyl-5-phenylpentanoic acid(2S,4R)-4-[({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-2-({hydroxy[(2R)-1-methylpiperidin-2-yl]methylidene}amino)-3-methyl-N-[(propanoyloxy)methyl]pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-2-methyl-5-phenylpentanoateRefChem:192468368870-67-1orb1989648CHEMBL6142156SCHEMBL29475206EX-A5466FCHEBI:227492
이름 더 보기
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 213 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,310
물리화학적 성질
- 끓는 점
- 942.2 · 942.2±65.0 °C(Predicted)
- 밀도
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 4.51 · 4.51±0.23(Predicted)
화학 및 산업
공급사5 곳
銳迪國際科技有限公司18024082417 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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