기본 정보
- CAS
41432-97-7- 표준 SMILES
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1.O=S(=O)([O-])O- InChIKey
WUIABRMSWOKTOF-OYALTWQYSA-N- 분자식
- C55H85N17O25S4
- 평균 분자량
- 1,512.6 g/mol
- 단동위원소 질량
- 1,511.478536
이름 및 식별자
- 우선 이름
- Bleomycin A2 sulfate
- IUPAC
- 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;hydrogen sulfate
- 영어명
- Bleomycin A2 sulfate
- 분자식
- C55H85N17O25S4
- 분자량
- 1512.62
이름 및 동의어
Bleomycin A2 sulfate41432-97-7UNII-U4S5LQV9S2U4S5LQV9S2Bleomycinamide, n1-(3-(dimethylsulfonio)propyl)-, sulfate (1:1) (Salt)DTXSID60194353RefChem:120638DTXCID70116844(3-(2'-(1-(6-Amino-2-(3-amino-1-((2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidin-4-yl)-3-((((2R,3S,4S,5S,6S)-3-(((2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)torb1907324SCHEMBL31497404AKOS040758960
이름 더 보기
(3-(2'-(1-(6-Amino-2-(3-amino-1-((2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidin-4-yl)-3-((((2R,3S,4S,5S,6S)-3-(((2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)(1H-imidazol-5-yl)methyl)-7-hydroxy-11-(1-hydroxyethyl)-6,8-dimethyl-1,4,9,12-tetraoxo-2,5,10,13-tetraazapentadecan-15-yl)-[2,4'-bithiazole]-4-carboxamido)propyl)dimethylsulfonium hydrogensulfate
물성
구조 계산 물성
- 극성 표면적
- 770 Ų
- 수소 결합 공여자 수
- 21
- 수소 결합 수용자 수
- 35
- 회전 가능 결합 수
- 36
- 무거운 원자 수
- 101
- 형식 전하
- 0
- 복잡도
- 2,660
화학 및 산업
공급사4 곳
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
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