(TYR43)-PTH (43-68) (HUMAN)

92952-95-9

MFCD00133745

C126 H208 N42 O43

2999.28

InChI=1S/C126H208N42O43/c1-60(2)46-79(102(190)144-55-97(186)187)158-118(206)86(57-170)164-107(195)71(22-12-15-41-129)151-108(196)75(32-36-92(176)177)153-113(201)81(49-66-53-139-59-145-66)159-119(207)87(58-171)165-111(199)77(34-38-94(180)181)156-121(209)98(62(5)6)166-115(203)80(47-61(3)4)163-122(210)99(63(7)8)167-116(204)82(50-90(132)174)160-114(202)84(52-96(184)185)162-110(198)76(33-37-93(178)179)152-104(192)70(21-11-14-40-128)149-103(191)69(20-10-13-39-127)150-105(193)73(24-17-43-141-125(135)136)155-120(208)88-26-19-45-168(88)123(211)78(25-18-44-142-126(137)138)157-109(197)74(31-35-89(131)173)154-117(205)85(56-169)147-91(175)54-143-100(188)64(9)146-112(200)83(51-95(182)183)161-106(194)72(23-16-42-140-124(133)134)148-101(189)68(130)48-65-27-29-67(172)30-28-65/h27-30,53,59-64,68-88,98-99,169-172H,10-26,31-52,54-58,127-130H2,1-9H3,(H2,131,173)(H2,132,174)(H,139,145)(H,143,188)(H,144,190)(H,146,200)(H,147,175)(H,148,189)(H,149,191)(H,150,193)(H,151,196)(H,152,192)(H,153,201)(H,154,205)(H,155,208)(H,156,209)(H,157,197)(H,158,206)(H,159,207)(H,160,202)(H,161,194)(H,162,198)(H,163,210)(H,164,195)(H,165,199)(H,166,203)(H,167,204)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H4,133,134,140)(H4,135,136,141)(H4,137,138,142)/t64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-/m0/s1

InChIKey=XFCKQKQPLIGZLK-WYRKDDNDSA-N

CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(cc3)O)N

H bond donor:50

H bond acceptor:85

XLogP3:0.0

Bulk/Fine:F