H-KDLPNYNWNSFGLRF-NH2

CAS号
CCD编号
CCD00387331
分子式
C88 H124 N24 O22
分子量
1870.09

基本信息

产品名称: H-KDLPNYNWNSFGLRF-NH2
英文同义词: KISS-1 (107-121) ; H-KDLPNYNWNSFGLRF-NH2 ; METASTIN (40-54)
MDL号: MFCD03452695
氢键受体数量: 46
氢键供体数量: 26
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)N
InChi: InChI=1S/C88H124N24O22/c1-46(2)33-58(78(125)101-56(24-15-31-97-88(95)96)77(124)102-57(74(94)121)35-48-17-7-5-8-18-48)100-72(118)44-99-76(123)59(36-49-19-9-6-10-20-49)104-85(132)67(45-113)111-83(130)63(40-70(92)116)108-80(127)61(38-51-43-98-55-23-12-11-21-53(51)55)106-81(128)62(39-69(91)115)107-79(126)60(37-50-26-28-52(114)29-27-50)105-82(129)64(41-71(93)117)109-86(133)68-25-16-32-112(68)87(134)66(34-47(3)4)110-84(131)65(42-73(119)120)103-75(122)54(90)22-13-14-30-89/h5-12,17-21,23,26-29,43,46-47,54,56-68,98,113-114H,13-16,22,24-25,30-42,44-45,89-90H2,1-4H3,(H2,91,115)(H2,92,116)(H2,93,117)(H2,94,121)(H,99,123)(H,100,118)(H,101,125)(H,102,124)(H,103,122)(H,104,132)(H,105,129)(H,106,128)(H,107,126)(H,108,127)(H,109,133)(H,110,131)(H,111,130)(H,119,120)(H4,95,96,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
InChiKey: InChIKey=KXLFBGWMRZIOAA-UGPGGNGJSA-N

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