HIV-GP120-41-N-A

CAS号
CCD编号
CCD03289940
分子式
C99 H146 N20 O20
分子量
1936.36

基本信息

产品名称: HIV-GP120-41-N-A
英文同义词: HIV-GP120-41-N-A
MDL号: MFCD17018895
氢键受体数量: 40
氢键供体数量: 23
Smile: CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)N
InChi: InChI=1S/C99H146N20O20/c1-51(2)43-67(102)85(124)108-75(47-62-49-104-69-28-19-17-26-66(62)69)91(130)114-81(55(9)10)96(135)118-84(58(15)120)97(136)116-79(53(5)6)94(133)110-73(45-60-34-38-64(122)39-35-60)89(128)109-72(44-59-32-36-63(121)37-33-59)86(125)105-50-77(123)112-82(56(11)12)98(137)119-42-24-31-76(119)92(131)115-78(52(3)4)93(132)111-74(46-61-48-103-68-27-18-16-25-65(61)68)90(129)107-70(29-20-22-40-100)87(126)106-71(30-21-23-41-101)88(127)113-80(54(7)8)95(134)117-83(57(13)14)99(138)139/h16-19,25-28,32-39,48-49,51-58,67,70-76,78-84,103-104,120-122H,20-24,29-31,40-47,50,100-102H2,1-15H3,(H,105,125)(H,106,126)(H,107,129)(H,108,124)(H,109,128)(H,110,133)(H,111,132)(H,112,123)(H,113,127)(H,114,130)(H,115,131)(H,116,136)(H,117,134)(H,118,135)(H,138,139)/t58-,67+,70+,71+,72+,73+,74+,75+,76+,78+,79+,80+,81+,82+,83+,84+/m1/s1
InChiKey: InChIKey=ZZRFKCJVHDKTNK-XTAWEUQRSA-N