H-PRO-HIS-PRO-PHE-HIS-PHE-PHE-VAL-TYR-LYS-OH（CAS号：75645-19-1）

O=C(C([H])(C([H])([H])C1=C([H])N=C([H])N1[H])N([H])C(C1([H])C([H])([H])C([H])([H])C([H])([H])N1[H])=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(N([H])C([H])(C(N([H])C([H])(C(N([H])C([H])(C(N([H])C([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])C(N([H])C([H])(C(N([H])C([H])(C(N([H])C([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])=O)C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H])=O)C([H])(C([H])([H])[H])C([H])([H])[H])=O)=O)C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O)C([H])([H])C1=C([H])N=C([H])N1[H])=O)C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O

InChI

1S/C69H87N15O12/c1-42(2)59(67(93)81-54(35-46-25-27-49(85)28-26-46)61(87)76-51(69(95)96)22-12-13-29-70)83-65(91)55(34-45-20-10-5-11-21-45)78-62(88)52(32-43-16-6-3-7-17-43)77-64(90)56(36-47-38-71-40-74-47)79-63(89)53(33-44-18-8-4-9-19-44)80-66(92)58-24-15-31-84(58)68(94)57(37-48-39-72-41-75-48)82-60(86)50-23-14-30-73-50/h3-11,16-21,25-28,38-42,50-59,73,85H,12-15,22-24,29-37,70H2,1-2H3,(H,71,74)(H,72,75)(H,76,87)(H,77,90)(H,78,88)(H,79,89)(H,80,92)(H,81,93)(H,82,86)(H,83,91)(H,95,96)

InChIKey

AIRMFERKNRDUKD-UHFFFAOYSA-N

LogP

5.17960

拓扑极性表面积

406.04999999999995 Ų

氢键供体/受体

15 / 27

复杂度

2540