(2S)-2-[[4-[(3,5-二氨基-9-甲基-10-硫杂-2,4,7-三氮杂双环[4.4.0]癸-1,3,5,7-四烯-8-基)甲基-甲基-氨基]苯甲酰基]氨基]戊二酸
[CAS# 82214-96-8]

基本信息

• 产品名称: (2S)-2-[[4-[(3,5-二氨基-9-甲基-10-硫杂-2,4,7-三氮杂双环[4.4.0]癸-1,3,5,7-四烯-8-基)甲基-甲基-氨基]苯甲酰基]氨基]戊二酸
• 英文名: (2S)-2-[[4-[(3,5-Diamino-9-Methyl-10-Thia-2,4,7-Triazabicyclo[4.4.0]Deca-1,3,5,7-Tetraen-8-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanedioic Acid
• 别名: (2S)-2-[[4-[(2,4-Diamino-7-Methyl-7H-Pyrimido[5,4-E][1,4]Thiazin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2,4-Diamino-7-Methyl-7H-Pyrimido[5,4-E][1,4]Thiazin-6-Yl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2,4-Diamino-7-Methyl-7H-Pyrimido[5,4-E][1,4]Thiazin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Glutaric Acid
• 分子式: C₂₁H₂₅N₇O₅S
• 分子量: 487.53
• CAS 登录号: 82214-96-8
• 分子行输入简码 SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1SC2C)N)N)C)C=C3)(C(=O)O)CCC(=O)O
• 国际化学标识码 InChI: 1S/C21H25N7O5S/c1-10-14(24-16-17(22)26-21(23)27-19(16)34-10)9-28(2)12-5-3-11(4-6-12)18(31)25-13(20(32)33)7-8-15(29)30/h3-6,10,13H,7-9H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,22,23,26,27)/t10?,13-/m0/s1
• 国际化学标识检索码 InChIKey: YHDMLNLRHIHUFB-HQVZTVAUSA-N

物理化学性质

• 密度: 1.588g/cm³ （计算值）