SIVMAC239 ENVELOPE-72

CAS号
CCD编号
CCD00416907
分子式
C102 H165 N29 O27 S
分子量
2261.67

基本信息

产品名称: SIVMAC239 ENVELOPE-72
英文同义词: H-VAL-GLN-MET-LEU-ALA-LYS-LEU-ARG-GLN-GLY-TYR-ARG-PRO-VAL-PHE-SER-SER-PRO-PRO-SER-OH ; SIVMAC239 ENVELOPE-72 ; VQMLAKLRQGYRPVFSSPPS
MDL号: MFCD03790841
氢键受体数量: 56
氢键供体数量: 31
Smile: CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)N
InChi: InChI=1S/C102H165N29O27S/c1-53(2)45-67(122-87(144)65(37-44-159-10)119-86(143)64(34-36-78(105)137)120-95(152)80(106)55(5)6)88(145)114-57(9)82(139)116-61(23-14-15-38-103)85(142)123-68(46-54(3)4)89(146)117-62(24-16-39-111-101(107)108)84(141)118-63(33-35-77(104)136)83(140)113-49-79(138)115-69(48-59-29-31-60(135)32-30-59)90(147)121-66(25-17-40-112-102(109)110)97(154)129-41-18-27-75(129)94(151)128-81(56(7)8)96(153)124-70(47-58-21-12-11-13-22-58)91(148)125-71(50-132)92(149)126-72(51-133)98(155)131-43-20-28-76(131)99(156)130-42-19-26-74(130)93(150)127-73(52-134)100(157)158/h11-13,21-22,29-32,53-57,61-76,80-81,132-135H,14-20,23-28,33-52,103,106H2,1-10H3,(H2,104,136)(H2,105,137)(H,113,140)(H,114,145)(H,115,138)(H,116,139)(H,117,146)(H,118,141)(H,119,143)(H,120,152)(H,121,147)(H,122,144)(H,123,142)(H,124,153)(H,125,148)(H,126,149)(H,127,150)(H,128,151)(H,157,158)(H4,107,108,111)(H4,109,110,112)/t57-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-,81-/m0/s1
InChiKey: InChIKey=TZHQIYZHMOLSAR-HCOHKGDLSA-N

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