basic_info |
|
| Product_Name： | H(-GLU-GLU-ASN-VAL-GLU-HIS-ASP-ALA)2-GLU-GLU-ASN-VAL-GLU-GLU-ASN-VAL-OH |
| EnglishSynonyms： | H(-GLU-GLU-ASN-VAL-GLU-HIS-ASP-ALA)2-GLU-GLU-ASN-VAL-GLU-GLU-ASN-VAL-OH |
| pro_mdlNumber： | MFCD00237689 |
| pro_acceptors： | 85 |
| pro_donors： | 43 |
| pro_smile： | CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(C)C)C(O)=O |
| InChi： | InChI=1S/C112H166N32O53/c1-43(2)85(109(193)130-58(18-28-80(163)164)94(178)129-57(17-27-79(161)162)98(182)138-66(36-72(117)148)108(192)144-88(46(7)8)112(196)197)141-106(190)64(34-70(115)146)136-96(180)55(15-25-77(157)158)127-92(176)52(12-22-74(151)152)124-89(173)47(9)122-102(186)68(38-84(171)172)140-104(188)62(32-50-40-119-42-121-50)134-100(184)60(20-30-82(167)168)132-111(195)87(45(5)6)143-107(191)65(35-71(116)147)137-97(181)56(16-26-78(159)160)128-93(177)53(13-23-75(153)154)125-90(174)48(10)123-101(185)67(37-83(169)170)139-103(187)61(31-49-39-118-41-120-49)133-99(183)59(19-29-81(165)166)131-110(194)86(44(3)4)142-105(189)63(33-69(114)145)135-95(179)54(14-24-76(155)156)126-91(175)51(113)11-21-73(149)150/h39-48,51-68,85-88H,11-38,113H2,1-10H3,(H2,114,145)(H2,115,146)(H2,116,147)(H2,117,148)(H,118,120)(H,119,121)(H,122,186)(H,123,185)(H,124,173)(H,125,174)(H,126,175)(H,127,176)(H,128,177)(H,129,178)(H,130,193)(H,131,194)(H,132,195)(H,133,183)(H,134,184)(H,135,179)(H,136,180)(H,137,181)(H,138,182)(H,139,187)(H,140,188)(H,141,190)(H,142,189)(H,143,191)(H,144,192)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,196,197)/t47-,48-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,85-,86-,87-,88-/m0/s1 |
| InChiKey： | InChIKey=AOQRKJGJPJMGDX-MRYKCQSKSA-N |
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