GP120-W61D-98

CAS号
CCD编号
CCD00416204
分子式
C88 H115 N19 O26 S
分子量
1887.05

基本信息

产品名称: GP120-W61D-98
英文同义词: H-PHE-PHE-TYR-CYS-ASP-THR-THR-GLN-LEU-PHE-ASN-SER-THR-TRP-ASN-OH ; FFYCDTTQLFNSTWN ; GP120-W61D-98
MDL号: MFCD03790135
氢键受体数量: 45
氢键供体数量: 26
Smile: CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](Cc6ccccc6)N
InChi: InChI=1S/C88H115N19O26S/c1-43(2)31-57(76(120)97-59(34-49-21-13-8-14-22-49)78(122)99-62(37-68(91)114)81(125)103-65(41-108)83(127)106-71(44(3)109)86(130)101-61(80(124)102-64(88(132)133)38-69(92)115)36-51-40-93-55-24-16-15-23-53(51)55)96-75(119)56(29-30-67(90)113)94-85(129)72(45(4)110)107-87(131)73(46(5)111)105-82(126)63(39-70(116)117)100-84(128)66(42-134)104-79(123)60(35-50-25-27-52(112)28-26-50)98-77(121)58(33-48-19-11-7-12-20-48)95-74(118)54(89)32-47-17-9-6-10-18-47/h6-28,40,43-46,54,56-66,71-73,93,108-112,134H,29-39,41-42,89H2,1-5H3,(H2,90,113)(H2,91,114)(H2,92,115)(H,94,129)(H,95,118)(H,96,119)(H,97,120)(H,98,121)(H,99,122)(H,100,128)(H,101,130)(H,102,124)(H,103,125)(H,104,123)(H,105,126)(H,106,127)(H,107,131)(H,116,117)(H,132,133)/t44-,45-,46-,54+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,71+,72+,73+/m1/s1
InChiKey: InChIKey=ANGPZQVKVWODNO-VNZWGOJPSA-N

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