(Z-Asp-Glu-Val-Asp)2-Rhodamine 110
(Z-Asp-Glu-Val-Asp)2-Rhodamine 110 · CAS 223538-61-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (Z-Asp-Glu-Val-Asp)2-Rhodamine 110
- CAS
- 223538-61-2
- CID
- 16181078
- IUPAC 名称
- (4S)-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[6'-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (Z-Asp-Glu-Val-Asp)2-Rhodamine 110
- CAS
- 223538-61-2
- CID
- 16181078
- IUPAC 名称
- (4S)-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[6'-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid
分子属性
- 分子式
- C72H78N10O27
- 分子量
- 1515.4 g/mol
- 精确质量
- 1514.50378725 Da
- 单同位素质量
- 1514.50378725 Da
- XLogP
- 1.7
- 极性表面积
- 569 Ų
- 氢键供体
- 16
- 氢键受体
- 27
- 可旋转键
- 40
- 重原子数
- 109
- 净电荷
- 0
- 结构复杂度
- 3130
结构标识
- InChIKey
- MRLMIVOGDRELQK-DLODMIPSSA-N
- SMILES
- CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCC5=CC=CC=C5)C6=CC=CC=C6C(=O)O3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCC7=CC=CC=C7
- InChI
- InChI=1S/C72H78N10O27/c1-35(2)59(81-61(95)45(23-25-53(83)84)75-65(99)49(31-57(91)92)79-70(104)106-33-37-13-7-5-8-14-37)67(101)77-47(29-55(87)88)63(97)73-39-19-21-43-51(27-39)108-52-28-40(20-22-44(52)72(43)42-18-12-11-17-41(42)69(103)109-72)74-64(98)48(30-56(89)90)78-68(102)60(36(3)4)82-62(96)46(24-26-54(85)86)76-66(100)50(32-58(93)94)80-71(105)107-34-38-15-9-6-10-16-38/h5-22,27-28,35-36,45-50,59-60H,23-26,29-34H2,1-4H3,(H,73,97)(H,74,98)(H,75,99)(H,76,100)(H,77,101)(H,78,102)(H,79,104)(H,80,105)(H,81,95)(H,82,96)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)/t45-,46-,47-,48-,49-,50-,59-,60-/m0/s1