UFP-101（CAS号：849024-68-6）

O=C([C@H](CCCCN)NC([C@H](CCCNC(=N)N)NC([C@H](C)NC([C@H](CO)NC([C@H](CCCCN)NC([C@H](CCCNC(=N)N)NC([C@H](C)NC(CNC([C@H]([C@@H](C)O)NC([C@H](CC1C=CC=CC=1)NC(CNC(CNC(CNCC1C=CC=CC=1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CCC(N)=O)=O)CC(N)=O)=O)CCCCN)=O)CCCNC(=N)N

InChI

1S/C82H138N32O21/c1-45(102-64(121)43-101-79(135)66(47(3)116)114-77(133)57(37-48-19-6-4-7-20-48)104-65(122)42-100-63(120)41-99-62(119)40-95-39-49-21-8-5-9-22-49)68(124)106-54(26-16-34-96-80(89)90)71(127)110-53(25-12-15-33-85)75(131)113-59(44-115)78(134)103-46(2)69(125)107-55(27-17-35-97-81(91)92)72(128)108-51(23-10-13-31-83)70(126)111-56(28-18-36-98-82(93)94)73(129)109-52(24-11-14-32-84)74(130)112-58(38-61(87)118)76(132)105-50(67(88)123)29-30-60(86)117/h4-9,19-22,45-47,50-59,66,95,115-116H,10-18,23-44,83-85H2,1-3H3,(H2,86,117)(H2,87,118)(H2,88,123)(H,99,119)(H,100,120)(H,101,135)(H,102,121)(H,103,134)(H,104,122)(H,105,132)(H,106,124)(H,107,125)(H,108,128)(H,109,129)(H,110,127)(H,111,126)(H,112,130)(H,113,131)(H,114,133)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-/m0/s1

InChIKey

DOLKPWDXAQZKNJ-LGCGZHPXSA-N

LogP

-13.114189999999887

拓扑极性表面积

911.12 Ų

氢键供体/受体

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