기본 정보
- CAS
65057-90-1- 표준 SMILES
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)CC(=O)NC(C(=O)NC(OC1OC(C)C(N)C(O)C1O)C(O)c1nc(-c2nc(C(=O)NCCCC(N)CC(=O)NCCCNCCCCN)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
VUPBDWQPEOWRQP-UHFFFAOYSA-N- 분자식
- C68H110N22O27S2
- 평균 분자량
- 1,731.9 g/mol
- 단동위원소 질량
- 1,730.7352187
개요
Tallysomycin A is a glycopeptide.
이름 및 식별자
- 우선 이름
- Tallysomycin A
- IUPAC
- [2-[2-[3-[[5-[[1-[[2-[4-[4-[[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]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
- Talisomycin
- 분자식
- C68H110N22O27S2
- 분자량
- 1731.87
이름 및 동의어
Tallysomycin ARefChem:932529(2-(2-(3-((5-((1-((2-(4-(4-((4-amino-6-(3-(4-aminobutylamino)propylamino)-6-oxohexyl)carbamoyl)-1,3-thiazol-2-yl)-1,3-thiazol-2-yl)-1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxyethyl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-3-hydroxy-5-oxopentan-2-yl)amino)-2-((6-amino-2-(3-amino-1-((2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidine-4-carbonyl)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) carbamateorb3141804SCHEMBL29384745CHEBI:222192NSC279496TN11404Bu-2231ATalisomycinTalisomycin AAntibiotic BU-2231A
이름 더 보기
N1-[4-Amino-5-[[3-[(4-aminobutyl)amino]propyl]carbamoyl]pentyl]-13-[(4-amino-4,6-dideoxy-α-L-talopyranosyl)oxy]-19-demethyl-12-hydroxybleomycinamideBleomycinamide, N1-[4-amino-6-[[3-[(4-aminobutyl)amino]propyl]amino]-6-oxohexyl]-13-[(4-amino-4,6-dideoxy-α-L-talopyranosyl)oxy]-19-demethyl-12-hydroxy-
물성
구조 계산 물성
- XLogP
- -13.3
- 극성 표면적
- 882 Ų
- 수소 결합 공여자 수
- 28
- 수소 결합 수용자 수
- 41
- 회전 가능 결합 수
- 48
- 무거운 원자 수
- 119
- 형식 전하
- 0
- 복잡도
- 3,240
물리화학적 성질
- 밀도
- 1.2971 · 1.2971 (rough estimate)
- 굴절률
- 1.67 · 1.6700 (estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 독성
- LD50 s.c. in mice: 28 mg/kg (US 4051237)
화학 및 산업
응용 분야
용도Antineoplastic.
공급사6 곳
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Zhejiang Huida Biotech Co., LTD008613515763466 8615669048680 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海研纯生物医药科技有限公司4001-009266 17349750668 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…