알파1발라
alpha1BAla
기본 정보
- CAS
151868-51-8- 표준 SMILES
CC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(N)=O- InChIKey
QLRFMKOHWHTBEJ-AFVHRJOWSA-N- 분자식
- C70H121N21O25S
- 평균 분자량
- 1,688.9 g/mol
- 단동위원소 질량
- 1,687.8563196
개요
a partially alpha-helical peptide
이름 및 식별자
- 우선 이름
- alpha1BAla
- IUPAC
- (4S)-4-[[(2S)-2-acetamidopropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- 현지명
- 알파1발라
- 영어명
- alpha1BAla
- 분자식
- C70H121N21O25S
- 분자량
- 1688.9
이름 및 동의어
alpha1BAlaAc-Aeaeeaakkakeacka-NH2151868-51-8RefChem:111404orb1983654SCHEMBL30474833TP2445N-Acetyl-L-alanyl-L-alpha-glutamyl-L-alanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-L-alanyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-alpha-glutamyl-L-alanyl-L-cysteinyl-L-lysyl-L-alaninamideL-Alaninamide, N-acetyl-L-alanyl-L-alpha-glutamyl-L-alanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-L-alanyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-alpha-glutamyl-L-alanyl-L-cysteinyl-L-lysyl-알파1발라L-Alaninamide, N-acetyl-L-alanyl-L-α-glutamyl-L-alanyl-L-α-glutamyl-L-α-glutamyl-L-alanyl-L-alanyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-α-glutamyl-L-alanyl-L-cysteinyl-L-lysyl- (9CI)
데이터베이스 식별자
- CAS
151868-51-8- PubChem CID
- 44147075
물성
구조 계산 물성
- XLogP
- -17.1
- 극성 표면적
- 763 Ų
- 수소 결합 공여자 수
- 26
- 수소 결합 수용자 수
- 30
- 회전 가능 결합 수
- 61
- 무거운 원자 수
- 117
- 형식 전하
- 0
- 복잡도
- 3,410
관련 반응
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