Myelin Basic Protein (87-99) (human, bovine, rat)
Myelin Basic Protein (87-99) (human, bovine, rat) · CAS 118506-26-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Myelin Basic Protein (87-99) (human, bovine, rat)
- CAS
- 118506-26-6
- CID
- 25077562
- IUPAC 名称
- (2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Myelin Basic Protein (87-99) (human, bovine, rat)
- CAS
- 118506-26-6
- CID
- 25077562
- IUPAC 名称
- (2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
分子属性
- 分子式
- C74H114N20O17
- 分子量
- 1555.8 g/mol
- 精确质量
- 1554.86708225 Da
- 单同位素质量
- 1554.86708225 Da
- XLogP
- -3.4
- 极性表面积
- 598 Ų
- 氢键供体
- 19
- 氢键受体
- 21
- 可旋转键
- 45
- 重原子数
- 111
- 净电荷
- 0
- 结构复杂度
- 3170
结构标识
- InChIKey
- XSSZRUKIAIQNAZ-SAKFXWCOSA-N
- SMILES
- CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](C(C)C)N
- InChI
- InChI=1S/C74H114N20O17/c1-9-41(6)58(70(107)89-57(40(4)5)69(106)92-60(43(8)96)71(108)93-31-19-27-53(93)67(104)84-48(26-18-30-81-74(78)79)62(99)91-59(42(7)95)72(109)94-32-20-28-54(94)73(110)111)90-66(103)52(36-55(76)97)87-61(98)47(25-16-17-29-75)83-63(100)49(33-44-21-12-10-13-22-44)85-64(101)50(34-45-23-14-11-15-24-45)86-65(102)51(35-46-37-80-38-82-46)88-68(105)56(77)39(2)3/h10-15,21-24,37-43,47-54,56-60,95-96H,9,16-20,25-36,75,77H2,1-8H3,(H2,76,97)(H,80,82)(H,83,100)(H,84,104)(H,85,101)(H,86,102)(H,87,98)(H,88,105)(H,89,107)(H,90,103)(H,91,99)(H,92,106)(H,110,111)(H4,78,79,81)/t41-,42+,43+,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-,59-,60-/m0/s1