GGDSIEVPGARILQHK_化学云数据库

GGDSIEVPGARILQHK

基本信息
产品名称：	GGDSIEVPGARILQHK
英文同义词：	H-GLY-GLY-ASP-SER-ILE-GLU-VAL-PRO-GLY-ALA-ARG-ILE-LEU-GLN-HIS-LYS-OH ; MASPIN RSL, (330-345) ; GGDSIEVPGARILQHK ; MASPIN REACTIVE SITE LOOP (330-345)
MDL号：	MFCD11113663
氢键受体数量：	46
氢键供体数量：	25
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CN
InChi：	InChI=1S/C72H121N23O23/c1-10-37(7)57(94-66(112)48(33-96)91-65(111)47(28-55(103)104)84-53(100)31-80-51(98)29-74)68(114)87-43(20-22-54(101)102)62(108)92-56(36(5)6)70(116)95-25-15-18-49(95)67(113)81-32-52(99)83-39(9)59(105)85-41(17-14-24-79-72(76)77)61(107)93-58(38(8)11-2)69(115)90-45(26-35(3)4)63(109)86-42(19-21-50(75)97)60(106)89-46(27-40-30-78-34-82-40)64(110)88-44(71(117)118)16-12-13-23-73/h30,34-39,41-49,56-58,96H,10-29,31-33,73-74H2,1-9H3,(H2,75,97)(H,78,82)(H,80,98)(H,81,113)(H,83,99)(H,84,100)(H,85,105)(H,86,109)(H,87,114)(H,88,110)(H,89,106)(H,90,115)(H,91,111)(H,92,108)(H,93,107)(H,94,112)(H,101,102)(H,103,104)(H,117,118)(H4,76,77,79)/t37-,38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-,57-,58-/m0/s1
InChiKey：	InChIKey=VWCRKAJKPCIKRR-IPGOYYHZSA-N

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