기본 정보
- CAS
1217773-33-5- 표준 SMILES
[N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=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
FJKANRXSLHOXFW-NZPKCACASA-N- 분자식
- C40H58F4N10O8S3
- 평균 분자량
- 979.1 g/mol
이름 및 식별자
- 우선 이름
- 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6-aminocaproyl]-N6-(6-biotinamidocaproyl)-L-lysinylamido}] Ethyl 2-Carboxyethyl Disulfide
- 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-[6-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
- 현지명
- 2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6-AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L-LYSINYLAMIDO}]에틸2-카르복시에틸이황화물
- 영어명
- 2-{N2-[N6-(4-azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-l -lysinylamido}] ethyl 2-carboxyethyl disulfide
- 분자식
- C40H58F4N10O8S3
- 분자량
- 979.14
이름 및 동의어
1217773-33-52-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide3-[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-[6-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoic acid2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6-aminocaproyl]-N6-(6-biotinamidocaproyl)-L-lysinylamido}] Ethyl 2-Carboxyethyl Disulfide2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinyl2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6-AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L-LYSINYLAMIDO}]에틸2-카르복시에틸이황화물Biotin Impurity 64Fosfomycin Trometamol Impurity 25
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 314 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 33
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,600
물리화학적 성질
- 용해도
- soluble in DMF, DMSO,
- 물리적 상태
- 가루
- 색상
- 연한 갈색
화학적 성질
Light Brown Powder
화학 및 산업
공급사10 곳
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