Human neutrophil peptide d (ttcycripaciagerrygtciyqgrlwafccrr)

Structural Information

Molecular Formula

C₁₆₇H₂₅₅N₅₃O₄₃S₆

SMILES

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)CC5=CC=C(C=C5)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)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)CC6=CC=C(C=C6)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)CC7=CNC8=CC=CC=C87)C)CC9=CC=CC=C9)C(=O)N1)C)[C@@H](C)CC)CCCNC(=N)N)[C@@H](C)O)CC1=CC=C(C=C1)O)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)O)C

InChI

InChI=1S/C167H255N53O43S6/c1-15-81(6)127-156(257)194-84(9)132(233)189-71-122(228)196-106(54-56-125(231)232)141(242)198-101(35-24-58-183-163(172)173)138(239)197-103(37-26-60-185-165(176)177)140(241)205-109(66-91-41-47-95(224)48-42-91)136(237)191-73-124(230)215-130(88(13)222)158(259)214-119-79-269-264-74-114-148(249)200-104(38-27-61-186-166(178)179)142(243)218-129(83(8)17-3)160(261)220-63-29-40-120(220)154(255)193-86(11)134(235)209-118(152(253)216-127)78-268-266-76-116(151(252)212-115(149(250)199-102(36-25-59-184-164(174)175)139(240)202-107(161(262)263)39-28-62-187-167(180)181)75-265-267-77-117(213-159(260)131(89(14)223)219-155(256)126(169)87(12)221)150(251)206-111(147(248)210-114)67-92-43-49-96(225)50-44-92)211-146(247)110(65-90-30-19-18-20-31-90)203-133(234)85(10)192-143(244)113(69-94-70-188-99-33-22-21-32-98(94)99)207-144(245)108(64-80(4)5)204-137(238)100(34-23-57-182-162(170)171)195-123(229)72-190-135(236)105(53-55-121(168)227)201-145(246)112(68-93-45-51-97(226)52-46-93)208-157(258)128(82(7)16-2)217-153(119)254/h18-22,30-33,41-52,70,80-89,100-120,126-131,188,221-226H,15-17,23-29,34-40,53-69,71-79,169H2,1-14H3,(H2,168,227)(H,189,233)(H,190,236)(H,191,237)(H,192,244)(H,193,255)(H,194,257)(H,195,229)(H,196,228)(H,197,239)(H,198,242)(H,199,250)(H,200,249)(H,201,246)(H,202,240)(H,203,234)(H,204,238)(H,205,241)(H,206,251)(H,207,245)(H,208,258)(H,209,235)(H,210,248)(H,211,247)(H,212,252)(H,213,260)(H,214,259)(H,215,230)(H,216,253)(H,217,254)(H,218,243)(H,219,256)(H,231,232)(H,262,263)(H4,170,171,182)(H4,172,173,183)(H4,174,175,184)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)/t81-,82-,83-,84-,85-,86-,87+,88+,89+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,126-,127-,128-,129-,130-,131-/m0/s1

InChIKey

COUFYFCVTMSNFF-IAPMJFQVSA-N

Compound name

(2S)-2-[[(2S)-2-[[(1R,4S,7S,13S,16S,19R,22S,25S,31S,34S,37S,40S,46S,49R,52S,55S,58S,64S,67S,70S,73S,76S,79R,82R,87R,90S)-87-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-58-(3-amino-3-oxopropyl)-76-benzyl-7,22,52-tris[(2S)-butan-2-yl]-4,34,37,64-tetrakis(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-46-[(1R)-1-hydroxyethyl]-40,55,90-tris[(4-hydroxyphenyl)methyl]-70-(1H-indol-3-ylmethyl)-16,25,73-trimethyl-67-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,88,91-octacosaoxo-84,85,94,95,98,99-hexathia-3,6,9,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,89,92-octacosazatetracyclo[47.43.4.419,79.09,13]hectane-82-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16130872