N-[(2S)-6-Amino-2-{[(2S)-2-({[(2S)-1-{N（CAS号：188859-65-6）

CC(C)C[C@@H](C(=N[C@@H](CC(C)C)C(=NCC(=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=N[C@@H](CC(=O)O)C(=N[C@@H](CCCCN)C(=N[C@@H](Cc2ccccc2)C(=O)O)O)O)O)O)O)O)N=C([C@H](CCCCN)N=C(CN=C([C@H](CC(C)C)N=C([C@H](CO)N=C([C@H](Cc3cnc[nH]3)N)O)O)O)O)O

InChI

InChI=1S/C67H110N20O17/c1-37(2)26-46(81-61(98)48(28-39(5)6)83-59(96)43(18-10-12-22-68)78-53(89)33-75-58(95)47(27-38(3)4)82-63(100)51(35-88)86-56(93)42(70)30-41-32-73-36-77-41)57(94)76-34-54(90)79-45(20-14-24-74-67(71)72)65(102)87-25-15-21-52(87)64(101)84-49(31-55(91)92)62(99)80-44(19-11-13-23-69)60(97)85-50(66(103)104)29-40-16-8-7-9-17-40/h7-9,16-17,32,36-39,42-52,88H,10-15,18-31,33-35,68-70H2,1-6H3,(H,73,77)(H,75,95)(H,76,94)(H,78,89)(H,79,90)(H,80,99)(H,81,98)(H,82,100)(H,83,96)(H,84,101)(H,85,97)(H,86,93)(H,91,92)(H,103,104)(H4,71,72,74)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1

InChIKey

YACBHKZFFYRFQI-RZGVDQIZSA-N

LogP

4.563269999999986

拓扑极性表面积

642.2700000000002 Ų

氢键供体/受体

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