3-[2-[[(2S)-6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
기본 정보
- CAS
1356841-73-0- 표준 SMILES
[N-]=[N+]=Nc1c(F)c(F)c(C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(=O)NCCSSCCC(=O)O)c(F)c1F- InChIKey
XZNRURXPARSEIP-IDFUSXCJSA-N- 분자식
- C34H47F4N9O7S3
- 평균 분자량
- 866 g/mol
- 단동위원소 질량
- 865.26967104
이름 및 식별자
- 우선 이름
- 3-[2-[[(2S)-6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
- IUPAC
- 3-[2-[[(2S)-6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
- 영어명
- 2-[N2-(4-azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-carboxyethyl disulfide
- 분자식
- C35H46F4N8O9S3
- 분자량
- 894.9765528
이름 및 동의어
1356841-73-03-[2-[[(2S)-6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoyl]amino]ethyldisulfanyl]propanoic acid2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl DisulfideDTXSID707245092-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6-biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide3-[(2-{[N~2~-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N~6~-(6-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanoyl)-L-lysyl]amino}ethyl)disulfanyl]propanoic acid3-{[2-({N~2~-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N~6~-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]-L-lysyl}amino)ethyl]disulfanyl}propanoic acidBiotin Impurity 66
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 285 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,390
물리화학적 성질
- 용해도
- DMF, DMSO에 용해됨
- 물리적 상태
- 가루
- 색상
- 연한 갈색
화학적 성질
Light Brown Powder
관련 반응
0건
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