Pendetide hydrochloride
기본 정보
- CAS
159489-28-8- 표준 SMILES
Cl.NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)O- InChIKey
JMNLEUSKHHGBMQ-SJEIDVEUSA-N- 분자식
- C31H48ClN7O14
- 평균 분자량
- 778.2 g/mol
- 단동위원소 질량
- 777.2947769
이름 및 식별자
- 우선 이름
- Pendetide hydrochloride
- IUPAC
- (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]hexanoic acid;hydrochloride
이름 및 동의어
Pendetide hydrochlorideUNII-1958372QOD159489-28-81958372QODDTXSID70166667(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]hexanoic acid hydrochlorideL-Lysine, N6-[N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl]-N2-(N-glycyl-L-tyrosyl)-, monohydrochloride(2S)-2-(((2S)-2-((2-aminoacetyl)amino)-3-(4-hydroxyphenyl)propanoyl)amino)-6-((2-(2-(2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino)acetyl)amino)hexanoic acid hydrochlorideL-Lysine, N6-(N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl)-N2-(N-glycyl-L-tyrosyl)-, monohydrochlorideRefChem:170768DTXCID9089158(S)-17-((S)-2-(2-Aminoacetamido)-3-(4-hydroxyphenyl)propanamido)-3,6,9-tris(carboxymethyl)-11-oxo-3,6,9,12-tetraazaoctadecanedioic acid hydrochloride
이름 더 보기
Q27252070N~6~-[N-{2-[{2-[Bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-N-(carboxymethyl)glycyl]-N~2~-(glycyl-L-tyrosyl)-L-lysine--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
159489-28-8- PubChem CID
- 71587549
- DTXSID
DTXSID70166667- UNII
- 1958372QOD
물성
구조 계산 물성
- 극성 표면적
- 330 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,200
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