아틸모틴
N-[(2S)-3-Phenyl-2-(trimethylazaniumyl)propanoyl]-L-valyl-L-prolyl-L-isoleucyl-L-phenylalanyl-L-threonyl-L-tyrosylglycyl-L-alpha-glutamyl-L-leucyl-L-glutaminyl-L-arginyl-D-leucyl-L-lysinamide
기본 정보
- CAS
533927-56-9- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[N+](C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O- InChIKey
DUQRILZXKXSRIY-BMSFOLAPSA-O- 분자식
- C86H135N20O19+
- 평균 분자량
- 1,753.1 g/mol
- 단동위원소 질량
- 1,752.02123716
이름 및 식별자
- 우선 이름
- N-[(2S)-3-Phenyl-2-(trimethylazaniumyl)propanoyl]-L-valyl-L-prolyl-L-isoleucyl-L-phenylalanyl-L-threonyl-L-tyrosylglycyl-L-alpha-glutamyl-L-leucyl-L-glutaminyl-L-arginyl-D-leucyl-L-lysinamide
- IUPAC
- [(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-carbamimidamido-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-trimethylazanium
- 현지명
- 아틸모틴
- 영어명
- Atilmotin
- 분자식
- C86H135N20O19+
- 분자량
- 1753.15
이름 및 동의어
N-[(2S)-3-Phenyl-2-(trimethylazaniumyl)propanoyl]-L-valyl-L-prolyl-L-isoleucyl-L-phenylalanyl-L-threonyl-L-tyrosylglycyl-L-alpha-glutamyl-L-leucyl-L-glutaminyl-L-arginyl-D-leucyl-L-lysinamide아틸모틴Atilmotin
데이터베이스 식별자
- CAS
533927-56-9- PubChem CID
- 44148958
- DTXSID
DTXSID40201559
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 621 Ų
- 수소 결합 공여자 수
- 21
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 56
- 무거운 원자 수
- 125
- 형식 전하
- 1
- 복잡도
- 3,560
화학 및 산업
응용 분야
용도Atilmotin is intended for use in the stimulation of gastrointestinal motility (GI prokinetic agent) (motilin receptor agonist).
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