Glycyl-L-phenylalanyl-L-lysylasparaginyl-L-valyl-L-alanyl-L-leucyl-L-seryl-L-threonyl-L-alanyl-N~5~-(diaminomethylene)-L-ornithylglycyl-L-phenylalaninamide（CAS号：133337-29-8）

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)C(CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN)O

InChI

InChI=1S/C62H99N19O16/c1-32(2)25-42(77-53(89)35(6)71-60(96)49(33(3)4)80-58(94)44(28-46(65)84)78-55(91)40(21-14-15-23-63)76-57(93)43(74-47(85)29-64)27-38-19-12-9-13-20-38)56(92)79-45(31-82)59(95)81-50(36(7)83)61(97)72-34(5)52(88)75-39(22-16-24-69-62(67)68)54(90)70-30-48(86)73-41(51(66)87)26-37-17-10-8-11-18-37/h8-13,17-20,32-36,39-45,49-50,82-83H,14-16,21-31,63-64H2,1-7H3,(H2,65,84)(H2,66,87)(H,70,90)(H,71,96)(H,72,97)(H,73,86)(H,74,85)(H,75,88)(H,76,93)(H,77,89)(H,78,91)(H,79,92)(H,80,94)(H,81,95)(H4,67,68,69)/t34-,35-,36+,39-,40-,41-,42-,43-,44?,45-,49-,50-/m0/s1

InChIKey

MJFBBKFOFMSTNF-KHZGWRAISA-N

LogP

-7.462199999999974

拓扑极性表面积

592.2799999999997 Ų

氢键供体/受体

26 / 35

复杂度

2670