神秘果蛋白
Miraculin (1-20) · CAS 198694-37-0
- 中文名
- 神秘果蛋白
- 中文别名
- 暂无
- 英文名
- Miraculin (1-20)
- CAS
- 198694-37-0
- CID
- 131636884
- IUPAC 名称
- (4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S,3R)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-oxopentanoic acid
名称与编号
- 中文名
- 神秘果蛋白
- 中文别名
- 暂无
- 英文名
- Miraculin (1-20)
- CAS
- 198694-37-0
- CID
- 131636884
- IUPAC 名称
- (4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S,3R)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-oxopentanoic acid
分子属性
- 分子式
- C88H146N26O34
- 分子量
- 2112.3 g/mol
- 精确质量
- 2111.0494758 Da
- 单同位素质量
- 2111.0494758 Da
- XLogP
- -14.9
- 极性表面积
- 983 Ų
- 氢键供体
- 32
- 氢键受体
- 37
- 可旋转键
- 69
- 重原子数
- 148
- 净电荷
- 0
- 结构复杂度
- 4720
结构标识
- InChIKey
- PCRSVXUTPHCEOJ-WWEZIHIXSA-N
- SMILES
- CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N
- InChI
- InChI=1S/C88H146N26O34/c1-12-41(8)67(111-77(137)52(34-65(128)129)103-76(136)50(29-39(4)5)104-82(142)66(40(6)7)110-80(140)57-21-17-27-114(57)86(146)53(31-58(91)118)106-79(139)56-20-16-26-113(56)85(145)42(9)98-78(138)55(37-115)108-70(130)45(90)30-63(124)125)83(143)105-51(33-64(126)127)71(131)96-35-60(120)99-48(22-23-62(122)123)73(133)100-46(18-13-14-24-89)72(132)102-49(28-38(2)3)75(135)101-47(19-15-25-95-88(93)94)74(134)112-68(43(10)116)81(141)97-36-61(121)109-69(44(11)117)84(144)107-54(87(147)148)32-59(92)119/h38-57,66-69,115-117H,12-37,89-90H2,1-11H3,(H2,91,118)(H2,92,119)(H,96,131)(H,97,141)(H,98,138)(H,99,120)(H,100,133)(H,101,135)(H,102,132)(H,103,136)(H,104,142)(H,105,143)(H,106,139)(H,107,144)(H,108,130)(H,109,121)(H,110,140)(H,111,137)(H,112,134)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,147,148)(H4,93,94,95)/t41-,42-,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,66-,67-,68-,69-/m0/s1