DEFENSIN (HUMAN) HNP-2

99287-07-7

MFCD00076222

C147 H217 N43 O37 S6

3370.99

InChI=1S/C147H217N43O37S6/c1-13-73(6)114-139(222)168-76(9)118(201)163-63-110(196)170-96(48-50-113(199)200)127(210)172-92(31-22-52-159-145(152)153)125(208)171-93(32-23-53-160-146(154)155)126(209)178-98(58-81-35-41-85(192)42-36-81)123(206)165-65-112(198)186-117(79(12)191)141(224)184-106-70-232-229-67-103-134(217)173-94(33-24-54-161-147(156)157)128(211)189-116(75(8)15-3)142(225)190-55-25-34-108(190)138(221)167-78(11)120(203)181-105(136(219)187-114)69-231-230-68-104(135(218)185-107(143(226)227)71-233-228-66-89(148)121(204)176-100(133(216)182-103)59-82-37-43-86(193)44-38-82)183-132(215)99(57-80-26-17-16-18-27-80)175-119(202)77(10)166-129(212)102(61-84-62-162-90-29-20-19-28-88(84)90)179-130(213)97(56-72(4)5)177-124(207)91(30-21-51-158-144(150)151)169-111(197)64-164-122(205)95(47-49-109(149)195)174-131(214)101(60-83-39-45-87(194)46-40-83)180-140(223)115(74(7)14-2)188-137(106)220/h16-20,26-29,35-46,62,72-79,89,91-108,114-117,162,191-194H,13-15,21-25,30-34,47-61,63-71,148H2,1-12H3,(H2,149,195)(H,163,201)(H,164,205)(H,165,206)(H,166,212)(H,167,221)(H,168,222)(H,169,197)(H,170,196)(H,171,208)(H,172,210)(H,173,217)(H,174,214)(H,175,202)(H,176,204)(H,177,207)(H,178,209)(H,179,213)(H,180,223)(H,181,203)(H,182,216)(H,183,215)(H,184,224)(H,185,218)(H,186,198)(H,187,219)(H,188,220)(H,189,211)(H,199,200)(H,226,227)(H4,150,151,158)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t73-,74-,75-,76-,77-,78-,79+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,114-,115-,116-,117-/m0/s1

InChIKey=GRZXCHIIZXMEPJ-HTLKCAKFSA-N

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N3)Cc5ccc(cc5)O)N)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)Cc6ccc(cc6)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)Cc7c[nH]c8c7cccc8)C)Cc9ccccc9)C(=O)N1)C)[C@@H](C)CC)CCCNC(=N)N)[C@@H](C)O)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)O)C

H bond donor:48

H bond acceptor:80

XLogP3:0.0

Bulk/Fine:F

3