기본 정보
- CAS
63968-82-1- 표준 SMILES
CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(=O)O)C(C)C)C(C)C)C(N)=O- InChIKey
NXTPETCPVNEEOP-UHFFFAOYSA-N- 분자식
- C59H95N15O18S
- 평균 분자량
- 1,334.5 g/mol
- 단동위원소 질량
- 1,333.67002241
개요
kassinin has been reported in Kassina senegalensis with data available.
이름 및 식별자
- 우선 이름
- Kassinin
- IUPAC
- 3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
- 현지명
- 카시닌
- 영어명
- Kassinin
- 분자식
- C59H95N15O18S
- 분자량
- 1334.54
이름 및 동의어
KASSININ63968-82-1DTXSID50895029RefChem:389087DTXCID8013245883-amino-4-((1-(2-((6-amino-1-((1-((1-((5-amino-1-((1-((1-((2-((1-((1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-3-hydroxy-1-oxopropan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutanoic acid3-amino-4-((1-(2-((6-amino-1-((1-((1-((5-amino-1-((1-((1-((2-((1-((1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-4-hydroxy-1,4-dioxobutan-2-yl)amino)-3-hydroxy-1-oxopropan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutanoic acid9BOP147TRTGTPL2088SCHEMBL20639320BDBM81943
물성
구조 계산 물성
- XLogP
- -7.5
- 극성 표면적
- 570 Ų
- 수소 결합 공여자 수
- 17
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 43
- 무거운 원자 수
- 93
- 형식 전하
- 0
- 복잡도
- 2,590
물리화학적 성질
- 밀도
- 1.305 · 1.305
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used for their pharmacological actions on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.
공급사40 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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