기본 정보
- CAS
9060-10-0- 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)NCCCCN=C(N)N)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- InChIKey
NBLHOLNNKJBEDC-XOGQCRKLSA-N- 분자식
- C55H84N20O21S2
- 평균 분자량
- 1,425.5 g/mol
- 단동위원소 질량
- 1,424.55613212
개요
bleomycin B2 has been reported in Streptomyces verticillus with data available.
이름 및 식별자
- 우선 이름
- Bleomycin B2
- IUPAC
- [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-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)-5-[[(2S,3R)-1-[2-[4-[4-[4-(diaminomethylideneamino)butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
- 현지명
- 블레오마이신B2
- 영어명
- Bleomycin B2
- 분자식
- C55H84N20O21S2
- 분자량
- 1425.51
이름 및 동의어
bleomycin B29060-10-0Phleomycin D2Dehydrophleomycin D1M62KK37O40DTXSID80872328N1-(4-((Aminoiminomethyl)amino)butyl)bleomycinamideBleomycinamide, N1-(4-((aminoiminomethyl)amino)butyl)-RefChem:917383DTXCID8011893CHEBI:28641((2R,3S,4S,5R,6R)-2-((2R,3S,4S,5S,6S)-2-((1R,2S)-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)-5-(((2S,3R)-1-(2-(4-(4-(4-(diaminomethylideneamino)butylcarbamoyl)-1,3-thiazol-2-yl)-1,3-thiazol-2-yl)ethylamino)-3-hydroxy-1-oxobutan-2-yl)amino)-3-hydroxy-4-methyl-5-oxopentan-2-yl)amino)-1-(1H-imidazol-5-yl)-3-oxopropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl) carbamate
이름 더 보기
블레오마이신B2BLEMOYCIN BZPhleomycin B2Zhengguanmycin B2
물성
구조 계산 물성
- XLogP
- -9.3
- 극성 표면적
- 748 Ų
- 수소 결합 공여자 수
- 22
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 37
- 무거운 원자 수
- 98
- 형식 전하
- 0
- 복잡도
- 2,680
물리화학적 성질
- 밀도
- 1.1158 · 1.1158 (rough estimate)
- 굴절률
- 1.67 · 1.6700 (estimate)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
공급사3 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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