MM 07（CAS号：1876450-21-3）

CC(C)C[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CCCNC(=N)N)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CCSC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](Cc6ccccc6)C(=O)O

InChI

InChI=1S/C67H106N22O14S3/c1-38(2)30-46-57(94)86-49(36-106-105-35-41(69)54(91)81-44(18-10-25-76-67(72)73)63(100)88-27-12-20-51(88)61(98)80-43(56(93)83-46)17-9-24-75-66(70)71)59(96)84-47(32-40-33-74-37-78-40)58(95)79-42(16-7-8-23-68)55(92)77-34-53(90)87-26-11-19-50(87)60(97)82-45(22-29-104-3)64(101)89-28-13-21-52(89)62(99)85-48(65(102)103)31-39-14-5-4-6-15-39/h4-6,14-15,33,37-38,41-52H,7-13,16-32,34-36,68-69H2,1-3H3,(H,74,78)(H,77,92)(H,79,95)(H,80,98)(H,81,91)(H,82,97)(H,83,93)(H,84,96)(H,85,99)(H,86,94)(H,102,103)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1

InChIKey

RKFGCZWTURNFPN-SVENNQHVSA-N

LogP

-3.575859999999987

拓扑极性表面积

564.6499999999999 Ų

氢键供体/受体

23 / 36

复杂度

3060