3-(4-琥珀酰氨基丁基氨基)丙基氨基博来霉素
[CAS# 58071-33-3]

基本信息

• 产品名称: 3-(4-琥珀酰氨基丁基氨基)丙基氨基博来霉素
• 英文名: 3-(4-Succinoylaminobutylamino)Propylaminobleomycin
• 别名: 4-[3-[3-[[2-[2-[2-[[2-[[4-[[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxo-Propyl)Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[3-[4-Carbamoyloxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-Hydroxy-2-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Ethyl]Thiazol-4-Yl]Thiazole-4-Carbonyl]Amino]Propylamino]Propylamino]-4-Oxo-Butanoic Acid; 4-[3-[3-[[[2-[2-[2-[[2-[[4-[[2-[[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxopropyl)Amino]-3-Oxopropyl]-5-Methyl-4-Pyrimidinyl]-Oxomethyl]Amino]-3-[[3-[[4-Carbamoyloxy-3,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-3-Hydroxy-2-Methyl-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]Ethyl]-4-Thiazolyl]-4-Thiazolyl]-Oxomethyl]Amino]Propylamino]Propylamino]-4-Oxobutanoic Acid; 4-[3-[3-[[2-[2-[2-[[2-[[4-[[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Keto-Propyl)Amino]-3-Keto-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[3-(4-Carbamoyloxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-Hydroxy-2-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Ethyl]Thiazol-4-Yl]Thiazole-4-Carbonyl]Amino]Propylamino]Propylamino]-4-Keto-Butyric Acid
• 分子式: C₆₀H₉₁N₁₉O₂₄S₂
• 分子量: 1526.61
• CAS 登录号: 58071-33-3
• 分子行输入简码 SMILES: C1=NC=C([NH]1)C(C(C(NC(C(C(C(NC(C(NCCC2=NC(=CS2)C3=NC(=CS3)C(NCCCNCCCNC(CCC(O)=O)=O)=O)=O)C(C)O)=O)C)O)C)=O)NC(C4=NC(=NC(=C4C)N)C(NCC(C(N)=O)N)CC(N)=O)=O)OC5C(C(C(C(O5)CO)O)O)OC6OC(C(C(C6O)OC(N)=O)O)CO
• 国际化学标识码 InChI: 1S/C60H91N19O24S2/c1-23-38(76-51(79-49(23)63)28(15-34(62)83)71-16-27(61)50(64)92)55(96)78-40(46(29-17-67-22-72-29)101-59-48(44(90)42(88)32(18-80)100-59)102-58-45(91)47(103-60(65)98)43(89)33(19-81)99-58)56(97)73-25(3)41(87)24(2)52(93)77-39(26(4)82)54(95)70-14-9-36-74-31(21-104-36)57-75-30(20-105-57)53(94)69-13-6-11-66-10-5-12-68-35(84)7-8-37(85)86/h17,20-22,24-28,32-33,39-48,58-59,66,71,80-82,87-91H,5-16,18-19,61H2,1-4H3,(H2,62,83)(H2,64,92)(H2,65,98)(H,67,72)(H,68,84)(H,69,94)(H,70,95)(H,73,97)(H,77,93)(H,78,96)(H,85,86)(H2,63,76,79)
• 国际化学标识检索码 InChIKey: LJSIRZGJYWROJP-UHFFFAOYSA-N

物理化学性质

• 密度: 1.585g/cm³ （计算值）