GP120-W61D-84

CAS号
CCD编号
CCD00416190
分子式
C75 H118 N28 O23 S
分子量
1812.0

基本信息

产品名称: GP120-W61D-84
英文同义词: H-ASP-ILE-ARG-GLN-ALA-HIS-CYS-ASN-LEU-SER-ARG-ALA-GLN-TRP-ASN-OH ; DIRQAHCNLSRAQWN ; GP120-W61D-84
MDL号: MFCD03790121
氢键受体数量: 51
氢键供体数量: 30
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChi: InChI=1S/C75H118N28O23S/c1-7-34(4)58(103-61(113)40(76)25-57(109)110)72(124)95-43(15-11-21-87-75(83)84)64(116)94-44(16-18-53(77)105)63(115)91-36(6)60(112)96-48(24-38-29-85-32-89-38)68(120)102-52(31-127)71(123)99-49(26-55(79)107)69(121)97-46(22-33(2)3)66(118)101-51(30-104)70(122)93-42(14-10-20-86-74(81)82)62(114)90-35(5)59(111)92-45(17-19-54(78)106)65(117)98-47(67(119)100-50(73(125)126)27-56(80)108)23-37-28-88-41-13-9-8-12-39(37)41/h8-9,12-13,28-29,32-36,40,42-52,58,88,104,127H,7,10-11,14-27,30-31,76H2,1-6H3,(H2,77,105)(H2,78,106)(H2,79,107)(H2,80,108)(H,85,89)(H,90,114)(H,91,115)(H,92,111)(H,93,122)(H,94,116)(H,95,124)(H,96,112)(H,97,121)(H,98,117)(H,99,123)(H,100,119)(H,101,118)(H,102,120)(H,103,113)(H,109,110)(H,125,126)(H4,81,82,86)(H4,83,84,87)/t34-,35-,36-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-/m0/s1
InChiKey: InChIKey=JDVBENXSPWBRDN-UICCKHEVSA-N

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