기본 정보
- CAS
41138-53-8- 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)NCCCN)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)c1c[nH]cn1- InChIKey
LSMWJUCWMOCWBF-CTFVQWALSA-N- 분자식
- C53H80N18O21S2
- 평균 분자량
- 1,369.4 g/mol
개요
Bleomycin A2'-b is a glycopeptide.
이름 및 식별자
- 우선 이름
- Bleomycin A2'-b
- 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-(3-aminopropylcarbamoyl)-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
- N1-(3-아미노프로필)블레오마이신아미드
- 영어명
- N1-(3-Aminopropyl)bleomycinamide
- 분자식
- C53H80N18O21S2
- 분자량
- 1369.45
이름 및 동의어
Bleomycin A2'-bRefChem:120640((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-(3-aminopropylcarbamoyl)-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[(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-(3-aminopropylcarbamoyl)-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
물성
구조 계산 물성
- XLogP
- -9.1
- 극성 표면적
- 710 Ų
- 수소 결합 공여자 수
- 21
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 35
- 무거운 원자 수
- 94
- 형식 전하
- 0
- 복잡도
- 2,520
물리화학적 성질
- 밀도
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.84 · 10.84±0.46(Predicted)
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…