SIVMAC239-73

CAS号
CCD编号
CCD00416785
分子式
C88 H125 N21 O24
分子量
1861.08

基本信息

产品名称: SIVMAC239-73
英文同义词: GPKEPFQSYVDRFYK ; SIVMAC239-73 ; H-GLY-PRO-LYS-GLU-PRO-PHE-GLN-SER-TYR-VAL-ASP-ARG-PHE-TYR-LYS-OH
MDL号: MFCD03790719
氢键受体数量: 45
氢键供体数量: 25
Smile: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)CN
InChi: InChI=1S/C88H125N21O24/c1-49(2)73(85(130)105-65(46-72(117)118)80(125)96-57(22-13-39-95-88(93)94)75(120)101-61(42-50-16-5-3-6-17-50)79(124)102-62(44-52-25-29-54(111)30-26-52)78(123)100-60(87(132)133)21-10-12-38-90)107-81(126)64(45-53-27-31-55(112)32-28-53)103-82(127)66(48-110)106-76(121)58(33-35-69(92)113)97-77(122)63(43-51-18-7-4-8-19-51)104-84(129)68-24-15-41-109(68)86(131)59(34-36-71(115)116)99-74(119)56(20-9-11-37-89)98-83(128)67-23-14-40-108(67)70(114)47-91/h3-8,16-19,25-32,49,56-68,73,110-112H,9-15,20-24,33-48,89-91H2,1-2H3,(H2,92,113)(H,96,125)(H,97,122)(H,98,128)(H,99,119)(H,100,123)(H,101,120)(H,102,124)(H,103,127)(H,104,129)(H,105,130)(H,106,121)(H,107,126)(H,115,116)(H,117,118)(H,132,133)(H4,93,94,95)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-/m0/s1
InChiKey: InChIKey=PXLMNNPTGOIUOE-RRWMIMHXSA-N

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