Apramide D
기본 정보
- 표준 SMILES
C#CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N1CCC[C@H]1c1nccs1)C(C)C)C(C)C)C(C)C- InChIKey
OXCWFJNLZMQXRO-GKMPNBHNSA-N- 분자식
- C54H82N8O8S
- 평균 분자량
- 1,003.3 g/mol
- 단동위원소 질량
- 1,002.59763278
개요
Apramide D is a peptide.
이름 및 식별자
- 우선 이름
- Apramide D
- IUPAC
- (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-ynoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
이름 및 동의어
Apramide D(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-ynoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide(2S)-N-((2S)-1-(((2S)-1-(((2S)-3-(4-methoxyphenyl)-1-oxo-1-((2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl)propan-2-yl)-methylamino)-3-methyl-1-oxobutan-2-yl)-methylamino)-3-methyl-1-oxobutan-2-yl)-N-methyl-1-((2S)-3-methyl-2-(methyl-((2S)-2-(methyl-((2R)-2-methyloct-7-ynoyl)amino)propanoyl)amino)butanoyl)pyrrolidine-2-carboxamideRefChem:113535290298-32-7CHEMBL455482SCHEMBL16431746CHEBI:202478DTXSID201047384
데이터베이스 식별자
- PubChem CID
- 10724698
- DTXSID
DTXSID201047384- ChEMBL
CHEMBL455482- ChEBI
CHEBI:202478- Nikkaji
- J1.372.661B
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 71
- 형식 전하
- 0
- 복잡도
- 1,880
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