POLISTESKININ JT

94015-41-5

MFCD09838120

C60 H92 N20 O14

1317.51

InChI=1S/C60H92N20O14/c1-34(82)47(77-48(84)37(61)18-8-24-68-58(62)63)53(89)73-38(19-9-25-69-59(64)65)54(90)80-29-13-23-45(80)56(92)79-28-11-21-43(79)51(87)71-32-46(83)72-40(30-35-14-4-2-5-15-35)49(85)76-42(33-81)55(91)78-27-12-22-44(78)52(88)75-41(31-36-16-6-3-7-17-36)50(86)74-39(57(93)94)20-10-26-70-60(66)67/h2-7,14-17,34,37-45,47,81-82H,8-13,18-33,61H2,1H3,(H,71,87)(H,72,83)(H,73,89)(H,74,86)(H,75,88)(H,76,85)(H,77,84)(H,93,94)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,37+,38+,39+,40+,41+,42+,43+,44+,45+,47+/m1/s1

InChIKey=IQYXIVGCMIDGBR-RRQRCRDCSA-N

C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)N)O

pro_donors:20

pro_acceptors:34

XLogP3:-17.0

Bulk/Fine:F