Biseokeaniamide A
기본 정보
- 표준 SMILES
CCCC(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N(C)Cc1nccs1)C(C)C)C(C)C- InChIKey
XNASEKUWNLNRSN-LMUGUXCZSA-N- 분자식
- C42H65N7O6S
- 평균 분자량
- 796.1 g/mol
- 단동위원소 질량
- 795.47170399
개요
Biseokeaniamide A is a peptide.
이름 및 식별자
- 우선 이름
- Biseokeaniamide A
- IUPAC
- (2S)-1-[(2S)-2-[butanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
이름 및 동의어
Biseokeaniamide ADTXSID201319339(2S)-1-((2S)-2-(butanoyl(methyl)amino)-3-methylbutanoyl)-N-methyl-N-((2S)-1-(((2S)-4-methyl-1-(methyl-((2S)-3-methyl-1-(methyl(1,3-thiazol-2-ylmethyl)amino)-1-oxobutan-2-yl)amino)-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide(2S)-1-[(2S)-2-[butanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamideRefChem:917321DTXCID501748765(S)-1-(N-butyryl-N-methyl-L-valyl)-N-methyl-N-((S)-1-(((S)-4-methyl-1-(methyl((S)-3-methyl-1-(methyl(thiazol-2-ylmethyl)amino)-1-oxobutan-2-yl)amino)-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamideCHEMBL4212280BiseokeaniamideACHEBI:207230BDBM50450891N-Butanoyl-N-methyl-L-valyl-L-prolyl-N-methyl-L-phenylalanyl-L-leucyl-N,N~2~-dimethyl-N-[(1,3-thiazol-2-yl)methyl]-L-valinamide
데이터베이스 식별자
- PubChem CID
- 137628581
- DTXSID
DTXSID201319339- ChEMBL
CHEMBL4212280- ChEBI
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,340
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