基本信息 |
|
| 产品名称： | 可达克肽 |
| CAS： | 22572-04-9 |
| 中文同义词： | 可达克肽 |
| 英文同义词： | CODACTIDE |
| MDL号： | MFCD09837845 |
| 氢键受体数量： | 53 |
| 氢键供体数量： | 32 |
| Smile： | CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6ccc(cc6)O)NC(=O)[C@@H](CO)N |
| InChi： | InChI=1S/C101H158N30O23S/c1-58(2)84(99(153)115-54-81(135)117-68(26-10-15-40-103)88(142)120-70(28-12-17-42-105)90(144)121-69(27-11-16-41-104)89(143)119-67(85(108)139)25-9-14-39-102)130-98(152)80-31-20-45-131(80)100(154)74(29-13-18-43-106)118-82(136)53-114-87(141)77(49-61-51-113-66-24-8-7-23-64(61)66)127-91(145)71(30-19-44-112-101(109)110)122-94(148)76(47-59-21-5-4-6-22-59)126-96(150)78(50-62-52-111-57-116-62)128-92(146)72(36-37-83(137)138)123-93(147)73(38-46-155-3)124-97(151)79(56-133)129-95(149)75(125-86(140)65(107)55-132)48-60-32-34-63(134)35-33-60/h4-8,21-24,32-35,51-52,57-58,65,67-80,84,113,132-134H,9-20,25-31,36-50,53-56,102-107H2,1-3H3,(H2,108,139)(H,111,116)(H,114,141)(H,115,153)(H,117,135)(H,118,136)(H,119,143)(H,120,142)(H,121,144)(H,122,148)(H,123,147)(H,124,151)(H,125,140)(H,126,150)(H,127,145)(H,128,146)(H,129,149)(H,130,152)(H,137,138)(H4,109,110,112)/t65-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,84+/m1/s1 |
| InChiKey： | InChIKey=KXHVGPOWQPPVFU-QQLGXXNZSA-N |
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