QDKPFWPPPIYIM

CAS号
CCD编号
CCD04011820
分子式
C81 H114 N16 O18 S
分子量
1631.95

基本信息

产品名称: QDKPFWPPPIYIM
英文同义词: QDKPFWPPPIYIM ; TRYPTOPHYLLIN-T3-1
MDL号: MFCD18252176
氢键受体数量: 34
氢键供体数量: 15
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)N
InChi: InChI=1S/C81H114N16O18S/c1-6-46(3)67(75(108)87-56(81(114)115)34-40-116-5)92-72(105)58(42-49-28-30-51(98)31-29-49)90-76(109)68(47(4)7-2)93-74(107)62-25-16-37-95(62)79(112)64-27-18-39-97(64)80(113)63-26-17-38-96(63)78(111)60(43-50-45-85-54-22-12-11-21-52(50)54)91-70(103)57(41-48-19-9-8-10-20-48)89-73(106)61-24-15-36-94(61)77(110)55(23-13-14-35-82)86-71(104)59(44-66(100)101)88-69(102)53(83)32-33-65(84)99/h8-12,19-22,28-31,45-47,53,55-64,67-68,85,98H,6-7,13-18,23-27,32-44,82-83H2,1-5H3,(H2,84,99)(H,86,104)(H,87,108)(H,88,102)(H,89,106)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,100,101)(H,114,115)/t46-,47-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1
InChiKey: InChIKey=SFFRVBAVZQWWHY-VJOMPHGDSA-N

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