(D-TYR4)-MTII

213314-49-9

MFCD03424232

C65 H87 N17 O17

1378.5

InChI=1S/C65H87N17O17/c1-3-4-14-53-62(97)80-50(29-54(88)89)60(95)79-49(28-39-31-69-34-72-39)59(94)76-46(25-36-15-19-40(86)20-16-36)56(91)74-44(13-9-24-70-65(67)68)55(90)78-48(27-38-30-71-43-11-6-5-10-42(38)43)58(93)75-45(12-7-8-23-66)63(98)82(53)64(99)52(33-84)81-57(92)47(26-37-17-21-41(87)22-18-37)77-61(96)51(32-83)73-35(2)85/h5-6,10-11,15-22,30-31,34,44-53,71,83-84,86-87H,3-4,7-9,12-14,23-29,32-33,66H2,1-2H3,(H,69,72)(H,73,85)(H,74,91)(H,75,93)(H,76,94)(H,77,96)(H,78,90)(H,79,95)(H,80,97)(H,81,92)(H,88,89)(H4,67,68,70)/t44-,45+,46+,47-,48-,49-,50-,51-,52-,53-/m0/s1

InChIKey=DGIZEPCVOOWEFB-RBEOGMESSA-N

CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)C)CCCCN)Cc3c[nH]c4c3cccc4)CCCNC(=N)N)Cc5ccc(cc5)O)Cc6c[nH]cn6)CC(=O)O

pro_donors:20

pro_acceptors:34

XLogP3:0.0

Bulk/Fine:F