SIVMAC239 ENVELOPE-24

CAS号
CCD编号
CCD00416859
分子式
C96 H144 N28 O30 S2
分子量
2234.49

基本信息

产品名称: SIVMAC239 ENVELOPE-24
英文同义词: SIVMAC239 ENVELOPE-24 ; H-ARG-TYR-CYS-ALA-PRO-PRO-GLY-TYR-ALA-LEU-LEU-ARG-CYS-ASN-ASP-THR-ASN-TYR-SER-GLY-OH ; RYCAPPGYALLRCNDTNYSG
MDL号: MFCD03790793
氢键受体数量: 58
氢键供体数量: 33
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CCCNC(=N)N)N
InChi: InChI=1S/C96H144N28O30S2/c1-45(2)32-58(112-77(137)47(5)108-81(141)60(34-50-16-22-53(127)23-17-50)110-73(132)40-106-91(151)69-14-10-30-123(69)94(154)70-15-11-31-124(70)93(153)48(6)109-89(149)67(43-155)121-85(145)61(35-51-18-24-54(128)25-19-51)113-78(138)56(97)12-8-28-104-95(100)101)83(143)114-59(33-46(3)4)82(142)111-57(13-9-29-105-96(102)103)80(140)120-68(44-156)90(150)116-63(37-71(98)130)86(146)117-65(39-74(133)134)88(148)122-76(49(7)126)92(152)118-64(38-72(99)131)87(147)115-62(36-52-20-26-55(129)27-21-52)84(144)119-66(42-125)79(139)107-41-75(135)136/h16-27,45-49,56-70,76,125-129,155-156H,8-15,28-44,97H2,1-7H3,(H2,98,130)(H2,99,131)(H,106,151)(H,107,139)(H,108,141)(H,109,149)(H,110,132)(H,111,142)(H,112,137)(H,113,138)(H,114,143)(H,115,147)(H,116,150)(H,117,146)(H,118,152)(H,119,144)(H,120,140)(H,121,145)(H,122,148)(H,133,134)(H,135,136)(H4,100,101,104)(H4,102,103,105)/t47-,48-,49+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1
InChiKey: InChIKey=CVWLYPMVKFXHNR-ITEUSHGASA-N

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