기본 정보
- CAS
62960-69-4- 표준 SMILES
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCc3cnc[nH]3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1- InChIKey
XONNZOVMPIEEMM-UHFFFAOYSA-N- 분자식
- C55H79N19O21S2
- 평균 분자량
- 1,406.5 g/mol
- 단동위원소 질량
- 1,405.51393295
이름 및 식별자
- 우선 이름
- Bleomycin A'2-C
- IUPAC
- [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[3-hydroxy-5-[[3-hydroxy-1-[2-[4-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-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
- 영어명
- [2-[2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl -ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydr oxy-1-[2-[4-[4-[2-(3H-imidazol-4-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]- 1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]pentan-2-yl]carbamoyl ]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl ]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
- 분자식
- C55H79N19O21S2
- 분자량
- 1406.46
이름 및 동의어
Bleomycin A'2-C62960-69-4CCRIS 1258N1-(2-(1H-Imidazol-4-yl)ethyl)bleomycinamideBleomycinamide, N1-(2-(1H-imidazol-4-yl)ethyl)-DTXSID001031610Bleomycin A2'-cN1-[2-(1H-Imidazol-4-yl)ethyl]bleomycinamideBleomycinamide, N1-[2-(1H-imidazol-4-yl)ethyl]- (9CI)[2-[2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl -ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydr oxy-1-[2-[4-[4-[2-(3H-imidazol-4-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]- 1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]pentan-2-yl]carbamoyl ]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl ]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
데이터베이스 식별자
- CAS
62960-69-4
물성
구조 계산 물성
- XLogP
- -8.4
- 극성 표면적
- 712 Ų
- 수소 결합 공여자 수
- 21
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 35
- 무거운 원자 수
- 97
- 형식 전하
- 0
- 복잡도
- 2,630
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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